N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

C16H19ClN4O2 — CID 113113238

IUPACN-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)no1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-13(17)3-4-14(11)18-16(22)21-7-5-20(6-8-21)15-10-12(2)23-19-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)
InChIKeyZCLMHWZCNOQIPE-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.30
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113113238) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113113238
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)no1
InChIInChI=1S/C16H19ClN4O2/c1-11-9-13(17)3-4-14(11)18-16(22)21-7-5-20(6-8-21)15-10-12(2)23-19-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,22)
InChIKeyZCLMHWZCNOQIPE-UHFFFAOYSA-N
XLogP3.30
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114627
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113365
N-(3-acetamidophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114278
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112335
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114690
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113114488
N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
N-(4-chloro-2-methylphenyl)-4-(4-cyanophenyl)piperazine-1-carboxamide
CID 113113234
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113113238) is N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3C)CC2)no1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is ZCLMHWZCNOQIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-9-13(17)3-4-14(11)18-16(22)21-7-5-20(6-8-21)15-10-12(2)23-19-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113113238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).