3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C9H12N2O4 — CID 107369205

IUPAC3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCCN(C)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C9H12N2O4/c1-3-4-11(2)8(12)6-5-7(9(13)14)15-10-6/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyRXEUNVPCRWPGMX-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.85
Rot. Bonds4

About 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369205) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369205
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCCN(C)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C9H12N2O4/c1-3-4-11(2)8(12)6-5-7(9(13)14)15-10-6/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyRXEUNVPCRWPGMX-UHFFFAOYSA-N
XLogP0.85
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
3-[2-cyanoethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369125
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
3-[2,2-difluoroethyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107370004
3-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369479
3-[bis(2-hydroxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369276
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369440
3-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
3-ethylsulfanylcarbonyl-1,2-oxazole-5-carboxylic acid
CID 117215058
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201
3-[cyclopropyl(3-methylbutyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369445

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369205) is 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCCN(C)C(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is RXEUNVPCRWPGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-3-4-11(2)8(12)6-5-7(9(13)14)15-10-6/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 212.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).