3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one

C15H19N3O2S — CID 126784426

IUPAC3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
SMILESCC(C)C1C(=O)NCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O2S/c1-10(2)14-15(19)16-5-6-18(14)9-13-17-8-11(20-13)12-4-3-7-21-12/h3-4,7-8,10,14H,5-6,9H2,1-2H3,(H,16,19)
InChIKeyATDPJTQDYDHZOP-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.36
Rot. Bonds4

About 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one

3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one (PubChem CID 126784426) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
PubChem CID126784426
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one
SMILESCC(C)C1C(=O)NCCN1Cc1ncc(-c2cccs2)o1
InChIInChI=1S/C15H19N3O2S/c1-10(2)14-15(19)16-5-6-18(14)9-13-17-8-11(20-13)12-4-3-7-21-12/h3-4,7-8,10,14H,5-6,9H2,1-2H3,(H,16,19)
InChIKeyATDPJTQDYDHZOP-UHFFFAOYSA-N
XLogP2.36
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one?
The IUPAC name of 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one (CID 126784426) is 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one is CC(C)C1C(=O)NCCN1Cc1ncc(-c2cccs2)o1.
What is the InChIKey of 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one?
The InChIKey is ATDPJTQDYDHZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)14-15(19)16-5-6-18(14)9-13-17-8-11(20-13)12-4-3-7-21-12/h3-4,7-8,10,14H,5-6,9H2,1-2H3,(H,16,19).
What are the key properties of 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one?
3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one has a molecular weight of 305.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 126784426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).