4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide

C17H22N4O2 — CID 2810866

IUPAC4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-13-16(14(2)23-19-13)18-17(22)21-10-8-20(9-11-21)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,18,22)
InChIKeyMDGJQIRKBQHAMK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.64
Rot. Bonds3

About 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide

4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide (PubChem CID 2810866) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide
PubChem CID2810866
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H22N4O2/c1-13-16(14(2)23-19-13)18-17(22)21-10-8-20(9-11-21)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,18,22)
InChIKeyMDGJQIRKBQHAMK-UHFFFAOYSA-N
XLogP2.64
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide (CID 2810866) is 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide is Cc1noc(C)c1NC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide?
The InChIKey is MDGJQIRKBQHAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-16(14(2)23-19-13)18-17(22)21-10-8-20(9-11-21)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3,(H,18,22).
What are the key properties of 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide?
4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 2810866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).