(1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide

C23H23N3O2 — CID 25472911

IUPAC(1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)[C@H]1CC=CCC1
InChIInChI=1S/C23H23N3O2/c27-22(19-14-8-3-9-15-19)24-20(16-17-10-4-1-5-11-17)23-25-21(26-28-23)18-12-6-2-7-13-18/h1-8,10-13,19-20H,9,14-16H2,(H,24,27)/t19-,20-/m0/s1
InChIKeyLHFJKQPLACMYOG-PMACEKPBSA-N
MW373.46 g/mol
LogP4.49
Rot. Bonds6

About (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 25472911) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID25472911
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)[C@H]1CC=CCC1
InChIInChI=1S/C23H23N3O2/c27-22(19-14-8-3-9-15-19)24-20(16-17-10-4-1-5-11-17)23-25-21(26-28-23)18-12-6-2-7-13-18/h1-8,10-13,19-20H,9,14-16H2,(H,24,27)/t19-,20-/m0/s1
InChIKeyLHFJKQPLACMYOG-PMACEKPBSA-N
XLogP4.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.49
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

3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 42883827
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]cyclobutanecarboxamide
CID 42808996
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
CID 42797745
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenylmethoxyacetamide
CID 42797778
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylprop-2-enamide
CID 171136494
(E)-N-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylprop-2-enamide
CID 97413897
(2S)-2-(cyclohex-3-ene-1-carbonylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61152254
2-(4-chlorophenoxy)-N-[(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 93117442

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide (CID 25472911) is (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide is O=C(N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is LHFJKQPLACMYOG-PMACEKPBSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(19-14-8-3-9-15-19)24-20(16-17-10-4-1-5-11-17)23-25-21(26-28-23)18-12-6-2-7-13-18/h1-8,10-13,19-20H,9,14-16H2,(H,24,27)/t19-,20-/m0/s1.
What are the key properties of (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 25472911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).