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

C19H22N2O2 — CID 42341971

IUPAC3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C19H22N2O2/c22-19(20-12-11-15-7-3-1-4-8-15)18-14-17(21-23-18)13-16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,20,22)
InChIKeyIVGNOXQNELEREB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.89
Rot. Bonds6

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

3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 42341971) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID42341971
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1cc(Cc2ccccc2)no1
InChIInChI=1S/C19H22N2O2/c22-19(20-12-11-15-7-3-1-4-8-15)18-14-17(21-23-18)13-16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,20,22)
InChIKeyIVGNOXQNELEREB-UHFFFAOYSA-N
XLogP3.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.89
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]-N'-(2-phenylethyl)oxamide
CID 2294960
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CID 108942883
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109251184
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 20868521
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 110689201
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377844
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110849144

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide (CID 42341971) is 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide is O=C(NCCC1=CCCCC1)c1cc(Cc2ccccc2)no1.
What is the InChIKey of 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is IVGNOXQNELEREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(20-12-11-15-7-3-1-4-8-15)18-14-17(21-23-18)13-16-9-5-2-6-10-16/h2,5-7,9-10,14H,1,3-4,8,11-13H2,(H,20,22).
What are the key properties of 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide?
3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 42341971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).