2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide

C18H22ClN5O2 — CID 128961180

IUPAC2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C18H22ClN5O2/c1-12(17(25)20-15-5-6-15)23-7-9-24(10-8-23)18-21-16(22-26-18)13-3-2-4-14(19)11-13/h2-4,11-12,15H,5-10H2,1H3,(H,20,25)
InChIKeyOJFSZGNOWAUHTF-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 128961180) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID128961180
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)N1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1
InChIInChI=1S/C18H22ClN5O2/c1-12(17(25)20-15-5-6-15)23-7-9-24(10-8-23)18-21-16(22-26-18)13-3-2-4-14(19)11-13/h2-4,11-12,15H,5-10H2,1H3,(H,20,25)
InChIKeyOJFSZGNOWAUHTF-UHFFFAOYSA-N
XLogP2.18
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-pyrrolidin-1-yl-1,2,4-oxadiazole
CID 133282203
3-(3-chlorophenyl)-5-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133281508
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
CID 38155425
N-[1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]cyclopropanecarboxamide
CID 133351214
3-[[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]-methylamino]propan-1-ol
CID 133315358
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46128965
N-cyclopropyl-2-[4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 46512485
1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453900
1-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 42760505
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 9442631

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 128961180) is 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)N1CCN(c2nc(-c3cccc(Cl)c3)no2)CC1.
What is the InChIKey of 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is OJFSZGNOWAUHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-12(17(25)20-15-5-6-15)23-7-9-24(10-8-23)18-21-16(22-26-18)13-3-2-4-14(19)11-13/h2-4,11-12,15H,5-10H2,1H3,(H,20,25).
What are the key properties of 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 375.86 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 128961180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).