4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid

C13H11NO3 — CID 114374125

IUPAC4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C13H11NO3/c15-13(16)11-10(8-6-7-8)14-12(17-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)
InChIKeyUWEFFHKVGKNPST-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.92
Rot. Bonds3

About 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid

4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid (PubChem CID 114374125) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
PubChem CID114374125
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2ccccc2)nc1C1CC1
InChIInChI=1S/C13H11NO3/c15-13(16)11-10(8-6-7-8)14-12(17-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)
InChIKeyUWEFFHKVGKNPST-UHFFFAOYSA-N
XLogP2.92
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374257
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
2,4-dicyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374227
2-(3-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 107942093
4-cyclopropyl-2-(2-methylpyrazol-3-yl)-1,3-oxazole-5-carboxylic acid
CID 114374304
2-(3-chlorothiophen-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374437
4-cyclopropyl-2-[methoxy(phenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 114374260
2-(2-bromo-5-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114026696
5-cycloheptyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 62586319
ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372237
4-cyclopropyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid
CID 82400587
5-methyl-2-phenyl-4-piperidin-4-yl-1,3-oxazole
CID 115044754

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid (CID 114374125) is 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2ccccc2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is UWEFFHKVGKNPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(16)11-10(8-6-7-8)14-12(17-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16).
What are the key properties of 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid?
4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-phenyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114374125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).