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

C9H10N2O4 — CID 5325757

IUPAC3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C9H10N2O4/c1-4-6(9(13)14)7(11-15-4)8(12)10-5-2-3-5/h5H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyGGFPYSZYOXZNDE-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.57
Rot. Bonds3

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

3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid (PubChem CID 5325757) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
PubChem CID5325757
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(C(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C9H10N2O4/c1-4-6(9(13)14)7(11-15-4)8(12)10-5-2-3-5/h5H,2-3H2,1H3,(H,10,12)(H,13,14)
InChIKeyGGFPYSZYOXZNDE-UHFFFAOYSA-N
XLogP0.57
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Tert-butylaminocarbonyl-5-methylisoxazole-4-carboxylic acid
CID 10513407
N-cyclopentyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589831
5-[(1R)-1-(cyclopropanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368318
5-[(1R)-1-(cyclopentanecarbonylamino)ethyl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 75368325
N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589872
N-cyclopropyl-2-(3,5-dimethylisoxazol-4-yl)acetamide
CID 49712359
3-methyl-5-[(1R)-1-(3-methylbutanoylamino)ethyl]-1,2-oxazole-4-carboxylic acid
CID 75368334
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[4-(hydroxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 95551372
5-Methyl-3-(trifluoromethylcarbamoyl)-1,2-oxazole-4-carboxylic acid
CID 174534041
2-[[4-Methyl-5-(trifluoromethyl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 175450741
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
5-(Cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 15693004

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid (CID 5325757) is 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid is Cc1onc(C(=O)NC2CC2)c1C(=O)O.
What is the InChIKey of 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
The InChIKey is GGFPYSZYOXZNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-4-6(9(13)14)7(11-15-4)8(12)10-5-2-3-5/h5H,2-3H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid?
3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 5325757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).