3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C11H11NO4 — CID 2978440

IUPAC3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NOC(C(=O)O)C2)cc1
InChIInChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)
InChIKeyHSCXSJZYFWHROH-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.27
Rot. Bonds3

About 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 2978440) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID2978440
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(C2=NOC(C(=O)O)C2)cc1
InChIInChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14)
InChIKeyHSCXSJZYFWHROH-UHFFFAOYSA-N
XLogP1.27
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazoleacetic acid methyl ester
CID 4633677
alpha-Hydroxy-4-methoxybenzenepropanoic acid
CID 14868260
3-(4-Hydroxyphenyl)-4,5-dihydro-5-isoxazole-acetic acid methyl ester
CID 5288525
(S)-3-(3-((E)-1-(4-Methoxybenzyloxyimino)ethyl)phenyl)-2-ethoxypropanoicAcid
CID 25115103
(4Z)-4-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-oxazol-5-one
CID 679283
alpha,4-Dimethoxybenzenepropanoic acid
CID 69053128
(4Z)-4-[4-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46216831
(4Z)-4-[4-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46229870
(4Z)-4-[4-[(E)-1-(4-fluoro-3-methoxyphenyl)ethylideneamino]oxybutoxyimino]-4-phenylbutanoic acid
CID 46229903
3-phenyl-2-[4-[(E)-C-phenyl-N-propoxycarbonimidoyl]phenoxy]propanoic acid
CID 118726814
3-phenyl-2-[4-[(Z)-C-phenyl-N-propoxycarbonimidoyl]phenoxy]propanoic acid
CID 118726815
(2Z)-2-(N-hydroxyimino)-3-(3-methoxyphenyl)propanoic acid
CID 127047495

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 2978440) is 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is COc1ccc(C2=NOC(C(=O)O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is HSCXSJZYFWHROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-5,10H,6H2,1H3,(H,13,14).
What are the key properties of 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 2978440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).