4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide

C14H15ClN6O3 — CID 46268599

IUPAC4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESNc1nonc1C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H15ClN6O3/c15-9-3-1-2-4-10(9)17-14(23)21-7-5-20(6-8-21)13(22)11-12(16)19-24-18-11/h1-4H,5-8H2,(H2,16,19)(H,17,23)
InChIKeyIBUSCBFBDSWKJO-UHFFFAOYSA-N
MW350.77 g/mol
LogP1.30
Rot. Bonds2

About 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide (PubChem CID 46268599) has the molecular formula C14H15ClN6O3 and a molecular weight of 350.77 g/mol. Its IUPAC name is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
PubChem CID46268599
Molecular FormulaC14H15ClN6O3
Molecular Weight350.77 g/mol
Exact Mass350.09
IUPAC Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
SMILESNc1nonc1C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C14H15ClN6O3/c15-9-3-1-2-4-10(9)17-14(23)21-7-5-20(6-8-21)13(22)11-12(16)19-24-18-11/h1-4H,5-8H2,(H2,16,19)(H,17,23)
InChIKeyIBUSCBFBDSWKJO-UHFFFAOYSA-N
XLogP1.30
TPSA117.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 46268601
N-(2-chlorophenyl)-6-azaspiro[2.5]octane-6-carboxamide
CID 97374347
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-[4-(2,2,2-trifluoroethyl)phenyl]-1,4-diazocane-1-carboxamide
CID 178156660
4-[(2R)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536495
4-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 96536494
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
N-(2-chlorophenyl)-4-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazine-1-carboxamide
CID 97331514
(3R,5R)-N-(2-chlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 40638803
4-amino-N-(2-morpholin-4-ylphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687967
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide (CID 46268599) is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide is Nc1nonc1C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
The InChIKey is IBUSCBFBDSWKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O3/c15-9-3-1-2-4-10(9)17-14(23)21-7-5-20(6-8-21)13(22)11-12(16)19-24-18-11/h1-4H,5-8H2,(H2,16,19)(H,17,23).
What are the key properties of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide?
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide has a molecular weight of 350.77 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 46268599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).