5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid

C8H10N2O4 — CID 117218137

IUPAC5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)NC(=O)c1cc(C(=O)O)no1
InChIInChI=1S/C8H10N2O4/c1-4(2)9-7(11)6-3-5(8(12)13)10-14-6/h3-4H,1-2H3,(H,9,11)(H,12,13)
InChIKeyPSNLOAJRNMRQRL-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.51
Rot. Bonds3

About 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid

5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117218137) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117218137
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)NC(=O)c1cc(C(=O)O)no1
InChIInChI=1S/C8H10N2O4/c1-4(2)9-7(11)6-3-5(8(12)13)10-14-6/h3-4H,1-2H3,(H,9,11)(H,12,13)
InChIKeyPSNLOAJRNMRQRL-UHFFFAOYSA-N
XLogP0.51
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 90573752
3-tert-butyl-N-propan-2-yl-1,2-oxazole-5-carboxamide
CID 15692944
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 155969876
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
5-(propan-2-ylcarbamoyl)-1,2-thiazole-3-carboxylic acid
CID 117218326
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 43209831
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737

Frequently Asked Questions

What is the IUPAC name of 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid (CID 117218137) is 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid is CC(C)NC(=O)c1cc(C(=O)O)no1.
What is the InChIKey of 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is PSNLOAJRNMRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4(2)9-7(11)6-3-5(8(12)13)10-14-6/h3-4H,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid?
5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 198.18 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117218137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).