4-(1,2-oxazol-4-ylmethoxy)benzoic acid

C11H9NO4 — CID 60870004

IUPAC4-(1,2-oxazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2cnoc2)cc1
InChIInChI=1S/C11H9NO4/c13-11(14)9-1-3-10(4-2-9)15-6-8-5-12-16-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyOWLSLTSNFKDVPM-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.95
Rot. Bonds4

About 4-(1,2-oxazol-4-ylmethoxy)benzoic acid

4-(1,2-oxazol-4-ylmethoxy)benzoic acid (PubChem CID 60870004) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-4-ylmethoxy)benzoic acid
PubChem CID60870004
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name4-(1,2-oxazol-4-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCc2cnoc2)cc1
InChIInChI=1S/C11H9NO4/c13-11(14)9-1-3-10(4-2-9)15-6-8-5-12-16-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyOWLSLTSNFKDVPM-UHFFFAOYSA-N
XLogP1.95
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
4-phenylmethoxybenzoic acid
CID 68896574
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
4-[(4-ethylphenoxy)methyl]benzoic acid
CID 585022
4-[(3,4-dichlorophenyl)methoxy]benzoic acid
CID 2764449
4-[(3,5-difluorophenyl)methoxy]benzoic acid
CID 112694437
1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
CID 61223878
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
4-[[4-(2-oxopropyl)phenoxy]methyl]benzoic acid
CID 115493805
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
CID 70036759
ethane;4-(phenoxymethyl)benzoic acid;propane
CID 144638943

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-ylmethoxy)benzoic acid?
The IUPAC name of 4-(1,2-oxazol-4-ylmethoxy)benzoic acid (CID 60870004) is 4-(1,2-oxazol-4-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-(1,2-oxazol-4-ylmethoxy)benzoic acid?
The canonical SMILES for 4-(1,2-oxazol-4-ylmethoxy)benzoic acid is O=C(O)c1ccc(OCc2cnoc2)cc1.
What is the InChIKey of 4-(1,2-oxazol-4-ylmethoxy)benzoic acid?
The InChIKey is OWLSLTSNFKDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-11(14)9-1-3-10(4-2-9)15-6-8-5-12-16-7-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 4-(1,2-oxazol-4-ylmethoxy)benzoic acid?
4-(1,2-oxazol-4-ylmethoxy)benzoic acid has a molecular weight of 219.20 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-ylmethoxy)benzoic acid is sourced from PubChem (CID 60870004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).