(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide

C23H26N4O2 — CID 95105668

IUPAC(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide
SMILESCC[C@@H](C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-2-19(17-10-5-3-6-11-17)21(28)26-23(13-7-4-8-14-23)22-25-20(27-29-22)18-12-9-15-24-16-18/h3,5-6,9-12,15-16,19H,2,4,7-8,13-14H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyVAUJFDZIWVLOSR-LJQANCHMSA-N
MW390.49 g/mol
LogP4.60
Rot. Bonds6

About (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide

(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide (PubChem CID 95105668) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide
PubChem CID95105668
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide
SMILESCC[C@@H](C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-2-19(17-10-5-3-6-11-17)21(28)26-23(13-7-4-8-14-23)22-25-20(27-29-22)18-12-9-15-24-16-18/h3,5-6,9-12,15-16,19H,2,4,7-8,13-14H2,1H3,(H,26,28)/t19-/m1/s1
InChIKeyVAUJFDZIWVLOSR-LJQANCHMSA-N
XLogP4.60
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide
CID 53181966
2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
CID 53181959
N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 71792076
3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
CID 53181974
1-(2-chlorophenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792055
N-[1-(aminomethyl)cyclohexyl]-2-phenylbutanamide
CID 63754584
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947949
1-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792054
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302
1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792108
N-(5-oxo-2-pyridin-3-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2-phenylbutanamide
CID 135448573
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide?
The IUPAC name of (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide (CID 95105668) is (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide.
What is the SMILES notation for (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide?
The canonical SMILES for (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide is CC[C@@H](C(=O)NC1(c2nc(-c3cccnc3)no2)CCCCC1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide?
The InChIKey is VAUJFDZIWVLOSR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-19(17-10-5-3-6-11-17)21(28)26-23(13-7-4-8-14-23)22-25-20(27-29-22)18-12-9-15-24-16-18/h3,5-6,9-12,15-16,19H,2,4,7-8,13-14H2,1H3,(H,26,28)/t19-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide?
(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide has a molecular weight of 390.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide is sourced from PubChem (CID 95105668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).