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

C11H11NO4 — CID 82369319

IUPAC2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1C1=NC(C(=O)O)CO1
InChIInChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)10-12-8(6-16-10)11(13)14/h2-5,8H,6H2,1H3,(H,13,14)
InChIKeyPPVGHURZCXCOAV-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.93
Rot. Bonds3

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

2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 82369319) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID82369319
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESCOc1ccccc1C1=NC(C(=O)O)CO1
InChIInChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)10-12-8(6-16-10)11(13)14/h2-5,8H,6H2,1H3,(H,13,14)
InChIKeyPPVGHURZCXCOAV-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 84787352
4-[(E)-[2-(2-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]benzoic acid
CID 5292990
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
methyl 2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 22184737
5-methoxy-3,4-dihydro-2H-1,4-benzoxazine-3-carboxylic acid
CID 117110701
(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
(5S)-N,N-dibenzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 29095200
1-[(2S)-2-(4-bromophenyl)-5-(2-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95053152
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
3-(2-methoxyphenyl)benzoic acid
CID 2759547

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 82369319) is 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is COc1ccccc1C1=NC(C(=O)O)CO1.
What is the InChIKey of 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is PPVGHURZCXCOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-15-9-5-3-2-4-7(9)10-12-8(6-16-10)11(13)14/h2-5,8H,6H2,1H3,(H,13,14).
What are the key properties of 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 221.21 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82369319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).