4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

C18H18N4O2 — CID 666965

IUPAC4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)NCc1cccnc1
InChIInChI=1S/C18H18N4O2/c23-16(20-13-14-6-5-11-19-12-14)9-4-10-17-21-18(22-24-17)15-7-2-1-3-8-15/h1-3,5-8,11-12H,4,9-10,13H2,(H,20,23)
InChIKeyQCBBPIOWTIGNPS-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.77
Rot. Bonds7

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 666965) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID666965
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1nc(-c2ccccc2)no1)NCc1cccnc1
InChIInChI=1S/C18H18N4O2/c23-16(20-13-14-6-5-11-19-12-14)9-4-10-17-21-18(22-24-17)15-7-2-1-3-8-15/h1-3,5-8,11-12H,4,9-10,13H2,(H,20,23)
InChIKeyQCBBPIOWTIGNPS-UHFFFAOYSA-N
XLogP2.77
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Psn-375,963
CID 2875918
4-(5-Cyclohexyl-1,2,4-oxadiazol-3-yl)pyridine
CID 877119
5-[2-(1-Phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56949269
5-(3-Phenylpropyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 705895
5-[(E)-2-phenylethenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 5348455
5-(4-Propylcyclohexyl)-3-(3-pyridinyl)-1,2,4-oxadiazole
CID 646685
3-[5-(4-Butylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 2213323
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9968741
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 10109052
(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-Nhydroxyhexanamide
CID 16748896
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[6-(methylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}hexanamide
CID 16748897
(3R)-6-cyclohexyl-3-{3-[6-(dimethylamino)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 16748898

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 666965) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCc1nc(-c2ccccc2)no1)NCc1cccnc1.
What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is QCBBPIOWTIGNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-16(20-13-14-6-5-11-19-12-14)9-4-10-17-21-18(22-24-17)15-7-2-1-3-8-15/h1-3,5-8,11-12H,4,9-10,13H2,(H,20,23).
What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 322.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 666965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).