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

C18H20N2O2 — CID 110689201

IUPACN-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ncoc1-c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(19-12-11-14-7-3-1-4-8-14)16-17(22-13-20-16)15-9-5-2-6-10-15/h2,5-7,9-10,13H,1,3-4,8,11-12H2,(H,19,21)
InChIKeyHWVBAMWVRDXTRG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.96
Rot. Bonds5

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

N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 110689201) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID110689201
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide
SMILESO=C(NCCC1=CCCCC1)c1ncoc1-c1ccccc1
InChIInChI=1S/C18H20N2O2/c21-18(19-12-11-14-7-3-1-4-8-14)16-17(22-13-20-16)15-9-5-2-6-10-15/h2,5-7,9-10,13H,1,3-4,8,11-12H2,(H,19,21)
InChIKeyHWVBAMWVRDXTRG-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.96
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]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122930
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111208397
N-[3-[[N-[2-(cyclohexen-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]benzamide
CID 111208755
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethylcarbamothioyl]benzamide
CID 909201
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
3-benzyl-N-[2-(cyclohexen-1-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 42341971
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 99951861
N-[2-(cyclohexen-1-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30133292
N-[6-[2-(cyclohexen-1-yl)ethylamino]-6-oxohexyl]benzamide
CID 110839487

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide (CID 110689201) is N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide is O=C(NCCC1=CCCCC1)c1ncoc1-c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is HWVBAMWVRDXTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-18(19-12-11-14-7-3-1-4-8-14)16-17(22-13-20-16)15-9-5-2-6-10-15/h2,5-7,9-10,13H,1,3-4,8,11-12H2,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.96, 5 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]-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110689201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).