5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid

C11H10N2O5 — CID 136998089

IUPAC5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
SMILESCOc1cc(O)c(-c2cc(N)on2)cc1C(=O)O
InChIInChI=1S/C11H10N2O5/c1-17-9-4-8(14)5(2-6(9)11(15)16)7-3-10(12)18-13-7/h2-4,14H,12H2,1H3,(H,15,16)
InChIKeyCCHGPIXYDGBCQN-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.34
Rot. Bonds3

About 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid

5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid (PubChem CID 136998089) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
PubChem CID136998089
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid
SMILESCOc1cc(O)c(-c2cc(N)on2)cc1C(=O)O
InChIInChI=1S/C11H10N2O5/c1-17-9-4-8(14)5(2-6(9)11(15)16)7-3-10(12)18-13-7/h2-4,14H,12H2,1H3,(H,15,16)
InChIKeyCCHGPIXYDGBCQN-UHFFFAOYSA-N
XLogP1.34
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
5-(5-amino-1,2-oxazol-3-yl)-2-hydroxy-3-methoxybenzoic acid
CID 136998086
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
3-(5-amino-1,2-oxazol-3-yl)-4,5-dimethoxybenzoic acid
CID 117414574
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
CID 136931170
2-(5-amino-1,2-oxazol-3-yl)-5-methylbenzene-1,4-diol
CID 136998676
3-(5-amino-1,2-oxazol-3-yl)-2,4-difluoro-5-methoxyphenol
CID 117356931
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
5-(3-amino-1H-pyrazol-5-yl)-2,4-dimethoxybenzoic acid
CID 117412042

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid?
The IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid (CID 136998089) is 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid?
The canonical SMILES for 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid is COc1cc(O)c(-c2cc(N)on2)cc1C(=O)O.
What is the InChIKey of 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid?
The InChIKey is CCHGPIXYDGBCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-17-9-4-8(14)5(2-6(9)11(15)16)7-3-10(12)18-13-7/h2-4,14H,12H2,1H3,(H,15,16).
What are the key properties of 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid?
5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid has a molecular weight of 250.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-oxazol-3-yl)-4-hydroxy-2-methoxybenzoic acid is sourced from PubChem (CID 136998089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).