N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide

C18H22N4O2 — CID 98065187

IUPACN-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3cccnc3)o2)CC1)C1CC1
InChIInChI=1S/C18H22N4O2/c23-16(13-7-8-13)20-10-12-3-5-14(6-4-12)17-21-22-18(24-17)15-2-1-9-19-11-15/h1-2,9,11-14H,3-8,10H2,(H,20,23)
InChIKeySEWLEESARKSXKS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.93
Rot. Bonds5

About N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide

N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide (PubChem CID 98065187) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide
PubChem CID98065187
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1CCC(c2nnc(-c3cccnc3)o2)CC1)C1CC1
InChIInChI=1S/C18H22N4O2/c23-16(13-7-8-13)20-10-12-3-5-14(6-4-12)17-21-22-18(24-17)15-2-1-9-19-11-15/h1-2,9,11-14H,3-8,10H2,(H,20,23)
InChIKeySEWLEESARKSXKS-UHFFFAOYSA-N
XLogP2.93
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11674428
2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
N-(4-methylcyclohexyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16303439
6-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11587811
N-(4-tert-butylphenyl)-4-(3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl)benzamide
CID 44416415
4-(3-(1,3,4-oxadiazol-2-yl)pyridin-2-yl)-N-(4-tert-butylphenyl)benzamide
CID 44416470
3-(4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide
CID 136241425
4-(5-Pyridin-3-yl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 153526884
2-(4-Bromophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 823507
3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide (CID 98065187) is N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide is O=C(NCC1CCC(c2nnc(-c3cccnc3)o2)CC1)C1CC1.
What is the InChIKey of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
The InChIKey is SEWLEESARKSXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-16(13-7-8-13)20-10-12-3-5-14(6-4-12)17-21-22-18(24-17)15-2-1-9-19-11-15/h1-2,9,11-14H,3-8,10H2,(H,20,23).
What are the key properties of N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide?
N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 98065187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).