N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide

C14H20N2O3 — CID 110680939

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)NCCC2=CCCCC2)c(=O)on1C
InChIInChI=1S/C14H20N2O3/c1-10-12(14(18)19-16(10)2)13(17)15-9-8-11-6-4-3-5-7-11/h6H,3-5,7-9H2,1-2H3,(H,15,17)
InChIKeyPZPWWWQBZSOCAZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.91
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (PubChem CID 110680939) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
PubChem CID110680939
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide
SMILESCc1c(C(=O)NCCC2=CCCCC2)c(=O)on1C
InChIInChI=1S/C14H20N2O3/c1-10-12(14(18)19-16(10)2)13(17)15-9-8-11-6-4-3-5-7-11/h6H,3-5,7-9H2,1-2H3,(H,15,17)
InChIKeyPZPWWWQBZSOCAZ-UHFFFAOYSA-N
XLogP1.91
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-(cyclohexen-1-yl)ethylcarbamoyl]-1,3,5-trimethylpyrrole-2-carboxylate
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N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
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N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 110849125
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CID 5121995
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34742403
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-5-propylthieno[3,2-c]pyridine-3-carboxamide
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N-[2-(cyclohexen-1-yl)ethyl]-2-ethyl-6-methyl-4-oxo-1-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 26358697
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 50847445
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methoxyethyl)oxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide (CID 110680939) is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is Cc1c(C(=O)NCCC2=CCCCC2)c(=O)on1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
The InChIKey is PZPWWWQBZSOCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-12(14(18)19-16(10)2)13(17)15-9-8-11-6-4-3-5-7-11/h6H,3-5,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethyl-5-oxo-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110680939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).