2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H23ClN4O2 — CID 119043152

IUPAC2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C/C=C/c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C19H23ClN4O2/c1-15-13-18(22-26-15)21-19(25)14-24-11-9-23(10-12-24)8-2-3-16-4-6-17(20)7-5-16/h2-7,13H,8-12,14H2,1H3,(H,21,22,25)/b3-2+
InChIKeyJGQGGJPXBIETLN-NSCUHMNNSA-N
MW374.87 g/mol
LogP2.91
Rot. Bonds6

About 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 119043152) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID119043152
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2CCN(C/C=C/c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C19H23ClN4O2/c1-15-13-18(22-26-15)21-19(25)14-24-11-9-23(10-12-24)8-2-3-16-4-6-17(20)7-5-16/h2-7,13H,8-12,14H2,1H3,(H,21,22,25)/b3-2+
InChIKeyJGQGGJPXBIETLN-NSCUHMNNSA-N
XLogP2.91
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449
2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 126798500
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55627407
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30662699
2-[4-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60575652
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 9347048
N-benzyl-2-[4-[3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]acetamide
CID 126820137
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 35321083

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 119043152) is 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2CCN(C/C=C/c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JGQGGJPXBIETLN-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-15-13-18(22-26-15)21-19(25)14-24-11-9-23(10-12-24)8-2-3-16-4-6-17(20)7-5-16/h2-7,13H,8-12,14H2,1H3,(H,21,22,25)/b3-2+.
What are the key properties of 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 374.87 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 119043152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).