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

C10H14N2O4 — CID 107369089

IUPAC3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCCCN(C)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H14N2O4/c1-3-4-5-12(2)9(13)7-6-8(10(14)15)16-11-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyCVQFQDYOWULVPJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.24
Rot. Bonds5

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

3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369089) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369089
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCCCN(C)C(=O)c1cc(C(=O)O)on1
InChIInChI=1S/C10H14N2O4/c1-3-4-5-12(2)9(13)7-6-8(10(14)15)16-11-7/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyCVQFQDYOWULVPJ-UHFFFAOYSA-N
XLogP1.24
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[butyl(methyl)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-[methyl(propyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369205
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
N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 46087261
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-[4-(dimethylamino)butylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369510
N-butyl-N-methyl-1,2-oxazole-5-carboxamide
CID 110693619
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
N-(3-bromopropyl)-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 106441445
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369089) is 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCCCN(C)C(=O)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is CVQFQDYOWULVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-5-12(2)9(13)7-6-8(10(14)15)16-11-7/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).