5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride

C16H20Cl2N4O2 — CID 119447808

IUPAC5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H19ClN4O2.ClH/c17-13-3-1-12(2-4-13)15-11-14(20-23-15)16(22)19-7-10-21-8-5-18-6-9-21;/h1-4,11,18H,5-10H2,(H,19,22);1H
InChIKeyABNZZTBAJBYAIR-UHFFFAOYSA-N
MW371.27 g/mol
LogP2.05
Rot. Bonds5

About 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride

5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119447808) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119447808
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCNCC1)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C16H19ClN4O2.ClH/c17-13-3-1-12(2-4-13)15-11-14(20-23-15)16(22)19-7-10-21-8-5-18-6-9-21;/h1-4,11,18H,5-10H2,(H,19,22);1H
InChIKeyABNZZTBAJBYAIR-UHFFFAOYSA-N
XLogP2.05
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
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CID 119498092
4-chloro-2-fluoro-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119445404
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5-(4-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
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N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
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2-(1,3-benzodioxol-5-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 119446990
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
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2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119447808) is 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride is Cl.O=C(NCCN1CCNCC1)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is ABNZZTBAJBYAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2.ClH/c17-13-3-1-12(2-4-13)15-11-14(20-23-15)16(22)19-7-10-21-8-5-18-6-9-21;/h1-4,11,18H,5-10H2,(H,19,22);1H.
What are the key properties of 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride?
5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 371.27 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119447808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).