N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide

C13H14N4O3S — CID 71870427

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCNC(=O)C2c2cccs2)no1
InChIInChI=1S/C13H14N4O3S/c1-8-7-10(16-20-8)15-13(19)17-5-4-14-12(18)11(17)9-3-2-6-21-9/h2-3,6-7,11H,4-5H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyJZQNDFVAWONKAN-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.75
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide (PubChem CID 71870427) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
PubChem CID71870427
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCNC(=O)C2c2cccs2)no1
InChIInChI=1S/C13H14N4O3S/c1-8-7-10(16-20-8)15-13(19)17-5-4-14-12(18)11(17)9-3-2-6-21-9/h2-3,6-7,11H,4-5H2,1H3,(H,14,18)(H,15,16,19)
InChIKeyJZQNDFVAWONKAN-UHFFFAOYSA-N
XLogP1.75
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide (CID 71870427) is N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide is Cc1cc(NC(=O)N2CCNC(=O)C2c2cccs2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
The InChIKey is JZQNDFVAWONKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-8-7-10(16-20-8)15-13(19)17-5-4-14-12(18)11(17)9-3-2-6-21-9/h2-3,6-7,11H,4-5H2,1H3,(H,14,18)(H,15,16,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-2-thiophen-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71870427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).