N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide

C25H27ClN4O3S — CID 138603015

IUPACN-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(Cl)c1
InChIInChI=1S/C25H27ClN4O3S/c1-17-7-8-22(21(26)13-17)27-24(31)15-29-9-11-30(12-10-29)25(32)20-5-3-4-6-23(20)34-16-19-14-18(2)33-28-19/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,27,31)
InChIKeyKVQBRFFSOISFTH-UHFFFAOYSA-N
MW499.04 g/mol
LogP4.63
Rot. Bonds7

About N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide (PubChem CID 138603015) has the molecular formula C25H27ClN4O3S and a molecular weight of 499.04 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
PubChem CID138603015
Molecular FormulaC25H27ClN4O3S
Molecular Weight499.04 g/mol
Exact Mass498.15
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(Cl)c1
InChIInChI=1S/C25H27ClN4O3S/c1-17-7-8-22(21(26)13-17)27-24(31)15-29-9-11-30(12-10-29)25(32)20-5-3-4-6-23(20)34-16-19-14-18(2)33-28-19/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,27,31)
InChIKeyKVQBRFFSOISFTH-UHFFFAOYSA-N
XLogP4.63
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.04
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 166338951
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 138603051
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
CID 71986633
N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55847694
N-(2,3-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993994
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 33300424
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 52542227
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide (CID 138603015) is N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(C(=O)c3ccccc3SCc3cc(C)on3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is KVQBRFFSOISFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O3S/c1-17-7-8-22(21(26)13-17)27-24(31)15-29-9-11-30(12-10-29)25(32)20-5-3-4-6-23(20)34-16-19-14-18(2)33-28-19/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,27,31).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 499.04 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 138603015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).