(S)-2-(4-Bromo-2-(isoxazol-3-yl)phenoxy)propanoic acid
(2S)-2-[4-bromo-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid
Molecular Identity
(S)-2-(4-Bromo-2-(isoxazol-3-yl)phenoxy)propanoic acid
(2S)-2-[4-bromo-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid
PubChem CID: 138684045
2D Structure
Properties
C12H10BrNO4
Molecular Formula
312.12
Molecular Weight
g/mol
310.9793
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
72.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
302
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)Br)C2=NOC=C2Isomeric SMILES
SMILES: C[C@@H](C(=O)O)OC1=C(C=C(C=C1)Br)C2=NOC=C2Synonyms(20)
NMD6702354321-33-6NMD-670(2S)-2-[4-Bromo-2-(1,2-oxazol-3-yl)phenoxy]propanoic acidIgnaseclant (USAN)orb2565660SCHEMBL21056999GTPL13343(S)-2-(4-Bromo-2-(isoxazol-3-yl)phenoxy)propanoic acidNMD670?RMA-201EX-A9025HY-158183CS-1049125D13283
Data from PubChem (NCBI)
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Molecular Structure
(S)-2-(4-Bromo-2-(isoxazol-3-yl)phenoxy)propanoic acid
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Drug Network
Trials and conditions connected to (S)-2-(4-Bromo-2-(isoxazol-3-yl)phenoxy)propanoic acid
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