N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

C18H17ClN4O3 — CID 90543437

IUPACN-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-14-3-1-2-4-15(14)20-18(24)23-8-5-12(6-9-23)16-21-22-17(26-16)13-7-10-25-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,20,24)
InChIKeyCXTTWCUBYXZTPE-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.39
Rot. Bonds3

About N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 90543437) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
PubChem CID90543437
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCC(c2nnc(-c3ccoc3)o2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-14-3-1-2-4-15(14)20-18(24)23-8-5-12(6-9-23)16-21-22-17(26-16)13-7-10-25-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,20,24)
InChIKeyCXTTWCUBYXZTPE-UHFFFAOYSA-N
XLogP4.39
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121114479
1-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 90543153
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 90543016
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
2-[4-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 90543234
N-(4-chlorophenyl)-4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 121114489
[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543217
2-(1-cyclopropylsulfonylpiperidin-4-yl)-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543490
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 59594508
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 90543252
(4-ethoxyphenyl)-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543080
2-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543491

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 90543437) is N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCC(c2nnc(-c3ccoc3)o2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is CXTTWCUBYXZTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-14-3-1-2-4-15(14)20-18(24)23-8-5-12(6-9-23)16-21-22-17(26-16)13-7-10-25-11-13/h1-4,7,10-12H,5-6,8-9H2,(H,20,24).
What are the key properties of N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90543437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).