4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one

C16H21N3O2S — CID 154784618

IUPAC4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
SMILESCC(C)(C)c1coc(CN2CCNC(=O)C2c2cccs2)n1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)12-10-21-13(18-12)9-19-7-6-17-15(20)14(19)11-5-4-8-22-11/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyPCNXCVHMXXADDL-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.71
Rot. Bonds3

About 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one

4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one (PubChem CID 154784618) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
PubChem CID154784618
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one
SMILESCC(C)(C)c1coc(CN2CCNC(=O)C2c2cccs2)n1
InChIInChI=1S/C16H21N3O2S/c1-16(2,3)12-10-21-13(18-12)9-19-7-6-17-15(20)14(19)11-5-4-8-22-11/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,17,20)
InChIKeyPCNXCVHMXXADDL-UHFFFAOYSA-N
XLogP2.71
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The IUPAC name of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one (CID 154784618) is 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The canonical SMILES for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one is CC(C)(C)c1coc(CN2CCNC(=O)C2c2cccs2)n1.
What is the InChIKey of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
The InChIKey is PCNXCVHMXXADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-16(2,3)12-10-21-13(18-12)9-19-7-6-17-15(20)14(19)11-5-4-8-22-11/h4-5,8,10,14H,6-7,9H2,1-3H3,(H,17,20).
What are the key properties of 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one?
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one has a molecular weight of 319.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-3-thiophen-2-ylpiperazin-2-one is sourced from PubChem (CID 154784618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).