N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide

C17H21ClN4O2 — CID 71986633

IUPACN-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccon3)CC2)c(Cl)c1
InChIInChI=1S/C17H21ClN4O2/c1-13-2-3-16(15(18)10-13)19-17(23)12-22-7-5-21(6-8-22)11-14-4-9-24-20-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,19,23)
InChIKeySGQLGGORWGLJGI-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.39
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide

N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide (PubChem CID 71986633) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
PubChem CID71986633
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCN(Cc3ccon3)CC2)c(Cl)c1
InChIInChI=1S/C17H21ClN4O2/c1-13-2-3-16(15(18)10-13)19-17(23)12-22-7-5-21(6-8-22)11-14-4-9-24-20-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,19,23)
InChIKeySGQLGGORWGLJGI-UHFFFAOYSA-N
XLogP2.39
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688693
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
N-(2-chloro-4-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 8720949
N-(2,4-dichlorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266510
N-(2-chloro-4-fluorophenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266452
N-(2,3-dichlorophenyl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8993994
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-chloro-4-methylphenyl)acetamide
CID 55354137
N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
CID 138603015
N-(2-chloro-4-methylphenyl)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27182446
N-(4-bromo-2-chlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469594
N-(2-chloro-4-methylphenyl)-2-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)acetamide
CID 146082772

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide (CID 71986633) is N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCN(Cc3ccon3)CC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide?
The InChIKey is SGQLGGORWGLJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-13-2-3-16(15(18)10-13)19-17(23)12-22-7-5-21(6-8-22)11-14-4-9-24-20-14/h2-4,9-10H,5-8,11-12H2,1H3,(H,19,23).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide?
N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide has a molecular weight of 348.83 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 71986633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).