3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

C14H15NO3 — CID 102725051

IUPAC3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2C2CC2)=NO1
InChIInChI=1S/C14H15NO3/c1-14(13(16)17)8-12(15-18-14)11-5-3-2-4-10(11)9-6-7-9/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyCZTUWUWOXJXYGO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.53
Rot. Bonds3

About 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid

3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (PubChem CID 102725051) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
PubChem CID102725051
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2C2CC2)=NO1
InChIInChI=1S/C14H15NO3/c1-14(13(16)17)8-12(15-18-14)11-5-3-2-4-10(11)9-6-7-9/h2-5,9H,6-8H2,1H3,(H,16,17)
InChIKeyCZTUWUWOXJXYGO-UHFFFAOYSA-N
XLogP2.53
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 7263720
5-methyl-3-[2-(trifluoromethoxy)phenyl]-4H-1,2-oxazole-5-carboxylic acid
CID 102725111
[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 91946054
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465305
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465298
(5S)-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 93019883
3-(2,5-dimethylthiophen-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725120
3-(furan-3-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 53323582
3-(2,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 103693699
(5R)-3-(2,4-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 95658937
3-(1,5-dimethylpyrazol-4-yl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725027
(5R)-N-cyclopropyl-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465820

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid (CID 102725051) is 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is CC1(C(=O)O)CC(c2ccccc2C2CC2)=NO1.
What is the InChIKey of 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
The InChIKey is CZTUWUWOXJXYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(13(16)17)8-12(15-18-14)11-5-3-2-4-10(11)9-6-7-9/h2-5,9H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid?
3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 102725051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).