N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide

C18H18N4O2 — CID 42649451

IUPACN-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18N4O2/c1-13(9-10-14-6-3-2-4-7-14)20-17(23)18-21-16(22-24-18)15-8-5-11-19-12-15/h2-8,11-13H,9-10H2,1H3,(H,20,23)
InChIKeyCNNGPORRJMKCBN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.88
Rot. Bonds6

About N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide

N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42649451) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42649451
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1nc(-c2cccnc2)no1
InChIInChI=1S/C18H18N4O2/c1-13(9-10-14-6-3-2-4-7-14)20-17(23)18-21-16(22-24-18)15-8-5-11-19-12-15/h2-8,11-13H,9-10H2,1H3,(H,20,23)
InChIKeyCNNGPORRJMKCBN-UHFFFAOYSA-N
XLogP2.88
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521072
N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521078
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
5-methyl-3-phenyl-N-(4-phenylbutan-2-yl)-1,2-oxazole-4-carboxamide
CID 2915253
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[(2R)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 94074577
(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
CID 100653110
N-[(1R)-2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 52518584
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 6625714
methyl 2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474655

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (CID 42649451) is N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is CC(CCc1ccccc1)NC(=O)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CNNGPORRJMKCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(9-10-14-6-3-2-4-7-14)20-17(23)18-21-16(22-24-18)15-8-5-11-19-12-15/h2-8,11-13H,9-10H2,1H3,(H,20,23).
What are the key properties of N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42649451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).