N-butyl-5-methyl-1,2-oxazole-3-carboxamide

C9H14N2O2 — CID 5130786

IUPACN-butyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(C)on1
InChIInChI=1S/C9H14N2O2/c1-3-4-5-10-9(12)8-6-7(2)13-11-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyWSCVIFLDAWYBMW-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.51
Rot. Bonds4

About N-butyl-5-methyl-1,2-oxazole-3-carboxamide

N-butyl-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 5130786) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-butyl-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID5130786
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-butyl-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCCCNC(=O)c1cc(C)on1
InChIInChI=1S/C9H14N2O2/c1-3-4-5-10-9(12)8-6-7(2)13-11-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyWSCVIFLDAWYBMW-UHFFFAOYSA-N
XLogP1.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dicyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5309153
5-methyl-N-[1-(oxolan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 2970309
N-cyclohexyl-N,5-dimethyl-3-isoxazolecarboxamide
CID 2814457
N-cyclohexyl-5-propyl-3-isoxazolecarboxamide
CID 5307570
N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
methyl N-(5-methyl-1,2-oxazole-3-carbonyl)glycinate
CID 2747412
5-methyl-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-isoxazolecarboxamide
CID 2225426
N,N-dicyclohexyl-5-methylisoxazole-3-carboxamide
CID 3245758
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
3-Methyl-N-propylisoxazole-5-carboxamide
CID 9551512
3-methyl-N-(propan-2-yl)-1,2-oxazole-5-carboxamide
CID 3245069
N1-isopropyl-2-[(5-methylisoxazol-3-yl)carbonyl]hydrazine-1-carboxamide
CID 2743500

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-5-methyl-1,2-oxazole-3-carboxamide (CID 5130786) is N-butyl-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-5-methyl-1,2-oxazole-3-carboxamide is CCCCNC(=O)c1cc(C)on1.
What is the InChIKey of N-butyl-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WSCVIFLDAWYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-5-10-9(12)8-6-7(2)13-11-8/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of N-butyl-5-methyl-1,2-oxazole-3-carboxamide?
N-butyl-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5130786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).