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

C15H17ClN4O2 — CID 113112990

IUPAC4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C15H17ClN4O2/c1-11-10-14(18-22-11)17-15(21)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyAMDQNXNZOXFQFK-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.99
Rot. Bonds2

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

4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 113112990) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID113112990
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C15H17ClN4O2/c1-11-10-14(18-22-11)17-15(21)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyAMDQNXNZOXFQFK-UHFFFAOYSA-N
XLogP2.99
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113111781
4-[4-chloro-3-(trifluoromethyl)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113114763
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 729690
4-[(4-chlorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-1,4-diazepane-1-carboxamide
CID 18144051
3-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-3-oxopropanamide
CID 108950660
4-(5-methyl-1,2-oxazol-3-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113114488
N-(4-chloro-2-methylphenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113238
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113113365
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109237631
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112562
4-benzhydryl-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 24528636

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 113112990) is 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is AMDQNXNZOXFQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-11-10-14(18-22-11)17-15(21)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21).
What are the key properties of 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113112990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).