4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide

C20H20N4O2 — CID 50767461

IUPAC4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2noc(C3CCCC3)n2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(22-13-14-4-3-11-21-12-14)16-9-7-15(8-10-16)18-23-20(26-24-18)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13H2,(H,22,25)
InChIKeyRJQKUQQXUZXMBY-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.72
Rot. Bonds5

About 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide

4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 50767461) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID50767461
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(-c2noc(C3CCCC3)n2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(22-13-14-4-3-11-21-12-14)16-9-7-15(8-10-16)18-23-20(26-24-18)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13H2,(H,22,25)
InChIKeyRJQKUQQXUZXMBY-UHFFFAOYSA-N
XLogP3.72
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50824889
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53032993
(1S,2S,3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 171336884
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50754879
3-(2-cyclopropyl-1,3-oxazol-4-yl)-N-(pyridin-3-ylmethyl)-1,2-benzoxazole-5-carboxamide
CID 97446299
2-[[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
CID 53160968
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 61339415
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 56706456
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide (CID 50767461) is 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(-c2noc(C3CCCC3)n2)cc1.
What is the InChIKey of 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is RJQKUQQXUZXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(22-13-14-4-3-11-21-12-14)16-9-7-15(8-10-16)18-23-20(26-24-18)17-5-1-2-6-17/h3-4,7-12,17H,1-2,5-6,13H2,(H,22,25).
What are the key properties of 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide?
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 348.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 50767461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).