N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

C18H24N4O2 — CID 50827865

IUPACN-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C18H24N4O2/c1-3-13(2)19-17(23)18-20-16(21-24-18)14-7-9-15(10-8-14)22-11-5-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)
InChIKeyDNHIUIYBDPPCFL-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.26
Rot. Bonds5

About N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50827865) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID50827865
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C18H24N4O2/c1-3-13(2)19-17(23)18-20-16(21-24-18)14-7-9-15(10-8-14)22-11-5-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)
InChIKeyDNHIUIYBDPPCFL-UHFFFAOYSA-N
XLogP3.26
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 50827812
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828031
N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
3-[4-(azepan-1-yl)phenyl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827856
3-[4-(azepan-1-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057371
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057357
3-[4-(azepan-1-yl)phenyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827764
3-[4-(azepan-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828022
(4-methylphenyl)-[4-[3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carbonyl]piperazin-1-yl]methanone
CID 50827747
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828013
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 50827865) is N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is CCC(C)NC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DNHIUIYBDPPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-13(2)19-17(23)18-20-16(21-24-18)14-7-9-15(10-8-14)22-11-5-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50827865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).