N-butyl-N-methyl-1,2-oxazole-5-carboxamide

C9H14N2O2 — CID 110693619

IUPACN-butyl-N-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccno1
InChIInChI=1S/C9H14N2O2/c1-3-4-7-11(2)9(12)8-5-6-10-13-8/h5-6H,3-4,7H2,1-2H3
InChIKeyZJWPDMIUKCAJDA-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.55
Rot. Bonds4

About N-butyl-N-methyl-1,2-oxazole-5-carboxamide

N-butyl-N-methyl-1,2-oxazole-5-carboxamide (PubChem CID 110693619) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-butyl-N-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1,2-oxazole-5-carboxamide
PubChem CID110693619
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-butyl-N-methyl-1,2-oxazole-5-carboxamide
SMILESCCCCN(C)C(=O)c1ccno1
InChIInChI=1S/C9H14N2O2/c1-3-4-7-11(2)9(12)8-5-6-10-13-8/h5-6H,3-4,7H2,1-2H3
InChIKeyZJWPDMIUKCAJDA-UHFFFAOYSA-N
XLogP1.55
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydroxymethyl)-N-methyl-1,2-oxazole-5-carboxamide
CID 58418442
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
CID 60957663
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 110649323
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 110649327
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 64510059
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 115278279
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 78800671

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-butyl-N-methyl-1,2-oxazole-5-carboxamide (CID 110693619) is N-butyl-N-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1,2-oxazole-5-carboxamide is CCCCN(C)C(=O)c1ccno1.
What is the InChIKey of N-butyl-N-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is ZJWPDMIUKCAJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-7-11(2)9(12)8-5-6-10-13-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1,2-oxazole-5-carboxamide?
N-butyl-N-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110693619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).