N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C16H22N4O2 — CID 22509419

IUPACN-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccccc2N2CCNCC2)=NO1
InChIInChI=1S/C16H22N4O2/c1-12(21)18-11-13-10-15(19-22-13)14-4-2-3-5-16(14)20-8-6-17-7-9-20/h2-5,13,17H,6-11H2,1H3,(H,18,21)
InChIKeyNTEWYDKJWLLRBO-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.73
Rot. Bonds4

About N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 22509419) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID22509419
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CC(c2ccccc2N2CCNCC2)=NO1
InChIInChI=1S/C16H22N4O2/c1-12(21)18-11-13-10-15(19-22-13)14-4-2-3-5-16(14)20-8-6-17-7-9-20/h2-5,13,17H,6-11H2,1H3,(H,18,21)
InChIKeyNTEWYDKJWLLRBO-UHFFFAOYSA-N
XLogP0.73
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 22509419) is N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCC1CC(c2ccccc2N2CCNCC2)=NO1.
What is the InChIKey of N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is NTEWYDKJWLLRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(21)18-11-13-10-15(19-22-13)14-4-2-3-5-16(14)20-8-6-17-7-9-20/h2-5,13,17H,6-11H2,1H3,(H,18,21).
What are the key properties of N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 22509419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).