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

C11H14N2O4 — CID 15693004

IUPAC5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1noc(C(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-5(2)8-7(11(15)16)9(17-13-8)10(14)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJRNSGPZGAFARTQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.39
Rot. Bonds4

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

5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 15693004) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID15693004
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1noc(C(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-5(2)8-7(11(15)16)9(17-13-8)10(14)12-6-3-4-6/h5-6H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJRNSGPZGAFARTQ-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-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-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
Methyl 5-(cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylate
CID 15056707
5-(Cyclopropylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylic acid
CID 15056708
5-(Tert-butylcarbamoyl)-3-prop-1-en-2-yl-1,2-oxazole-4-carboxylic acid
CID 15056712

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 15693004) is 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1noc(C(=O)NC2CC2)c1C(=O)O.
What is the InChIKey of 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is JRNSGPZGAFARTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-5(2)8-7(11(15)16)9(17-13-8)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 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid?
5-(cyclopropylcarbamoyl)-3-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 5-(cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 15693004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).