3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

C11H14N2O4 — CID 15682536

IUPAC3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(C(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-5(2)9-7(11(15)16)8(13-17-9)10(14)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMECIEXNFHVANIH-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.39
Rot. Bonds4

About 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 15682536) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID15682536
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(C(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-5(2)9-7(11(15)16)8(13-17-9)10(14)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyMECIEXNFHVANIH-UHFFFAOYSA-N
XLogP1.39
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
3-Tert-butylaminocarbonyl-5-methylisoxazole-4-carboxylic acid
CID 10513407
3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368316
5-[(1R)-1-(cyclohexanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368317
5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368318
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368319
5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368325
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
5-ethyl-4-(fluoromethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132027564
5-ethyl-4-(1-fluoroethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 132027566
5-ethyl-4-(fluoromethyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 132027570
5-ethyl-4-(1-fluoroethyl)-N-(3-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 132027573

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 15682536) is 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1onc(C(=O)NC2CC2)c1C(=O)O.
What is the InChIKey of 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is MECIEXNFHVANIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-5(2)9-7(11(15)16)8(13-17-9)10(14)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 15682536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).