3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid

C11H9NO4 — CID 23577995

IUPAC3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cnco1
InChIInChI=1S/C11H9NO4/c1-15-9-4-7(11(13)14)2-3-8(9)10-5-12-6-16-10/h2-6H,1H3,(H,13,14)
InChIKeyITFIALYGOUNASG-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.05
Rot. Bonds3

About 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid

3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid (PubChem CID 23577995) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
PubChem CID23577995
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1-c1cnco1
InChIInChI=1S/C11H9NO4/c1-15-9-4-7(11(13)14)2-3-8(9)10-5-12-6-16-10/h2-6H,1H3,(H,13,14)
InChIKeyITFIALYGOUNASG-UHFFFAOYSA-N
XLogP2.05
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethane-1,2-dione
CID 24994461
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide
CID 67046681
ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate
CID 57212468
N-cyclobutyl-N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766949
N'-[1-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766678
N'-[1-(2,2-dimethylpropanoylamino)-2-methylpropan-2-yl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]oxamide
CID 20766616
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
CID 20766530
(E)-2-fluoro-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-phenylprop-2-enamide
CID 67047395
tert-butyl N-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropyl]carbamate
CID 10181213

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid?
The IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid (CID 23577995) is 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid?
The canonical SMILES for 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid is COc1cc(C(=O)O)ccc1-c1cnco1.
What is the InChIKey of 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid?
The InChIKey is ITFIALYGOUNASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-15-9-4-7(11(13)14)2-3-8(9)10-5-12-6-16-10/h2-6H,1H3,(H,13,14).
What are the key properties of 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid?
3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid has a molecular weight of 219.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid is sourced from PubChem (CID 23577995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).