2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide

C17H22N4O2 — CID 126766808

IUPAC2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide
SMILESCCC1CN(c2ccccc2)CCN1C(=O)Nc1cc(C)no1
InChIInChI=1S/C17H22N4O2/c1-3-14-12-20(15-7-5-4-6-8-15)9-10-21(14)17(22)18-16-11-13(2)19-23-16/h4-8,11,14H,3,9-10,12H2,1-2H3,(H,18,22)
InChIKeyJSBRRTPBKBUXFF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.12
Rot. Bonds3

About 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide

2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 126766808) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID126766808
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide
SMILESCCC1CN(c2ccccc2)CCN1C(=O)Nc1cc(C)no1
InChIInChI=1S/C17H22N4O2/c1-3-14-12-20(15-7-5-4-6-8-15)9-10-21(14)17(22)18-16-11-13(2)19-23-16/h4-8,11,14H,3,9-10,12H2,1-2H3,(H,18,22)
InChIKeyJSBRRTPBKBUXFF-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide (CID 126766808) is 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide is CCC1CN(c2ccccc2)CCN1C(=O)Nc1cc(C)no1.
What is the InChIKey of 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is JSBRRTPBKBUXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-14-12-20(15-7-5-4-6-8-15)9-10-21(14)17(22)18-16-11-13(2)19-23-16/h4-8,11,14H,3,9-10,12H2,1-2H3,(H,18,22).
What are the key properties of 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide?
2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-methyl-1,2-oxazol-5-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 126766808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).