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

C13H18N2O2 — CID 110849125

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H18N2O2/c1-10-12(9-17-15-10)13(16)14-8-7-11-5-3-2-4-6-11/h5,9H,2-4,6-8H2,1H3,(H,14,16)
InChIKeyFKOWUIIUZMDKDP-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.60
Rot. Bonds4

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

N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110849125) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID110849125
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H18N2O2/c1-10-12(9-17-15-10)13(16)14-8-7-11-5-3-2-4-6-11/h5,9H,2-4,6-8H2,1H3,(H,14,16)
InChIKeyFKOWUIIUZMDKDP-UHFFFAOYSA-N
XLogP2.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbenzamide
CID 60682672
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103842248
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
N-[2-(cyclohexen-1-yl)ethyl]-2-ethylbutanamide
CID 5121995
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34742403
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
2-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide
CID 103751992

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 110849125) is N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FKOWUIIUZMDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-12(9-17-15-10)13(16)14-8-7-11-5-3-2-4-6-11/h5,9H,2-4,6-8H2,1H3,(H,14,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110849125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).