1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

C20H22N4O2S — CID 16670298

IUPAC1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCCN(C(=O)Cc3cccs3)C2)on1
InChIInChI=1S/C20H22N4O2S/c1-13-9-18(26-23-13)17-11-21-14(2)22-20(17)15-5-3-7-24(12-15)19(25)10-16-6-4-8-27-16/h4,6,8-9,11,15H,3,5,7,10,12H2,1-2H3
InChIKeyDURDFWVFQJFOKC-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.76
Rot. Bonds4

About 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 16670298) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID16670298
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1cc(-c2cnc(C)nc2C2CCCN(C(=O)Cc3cccs3)C2)on1
InChIInChI=1S/C20H22N4O2S/c1-13-9-18(26-23-13)17-11-21-14(2)22-20(17)15-5-3-7-24(12-15)19(25)10-16-6-4-8-27-16/h4,6,8-9,11,15H,3,5,7,10,12H2,1-2H3
InChIKeyDURDFWVFQJFOKC-UHFFFAOYSA-N
XLogP3.76
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone 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 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 16670298) is 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1cc(-c2cnc(C)nc2C2CCCN(C(=O)Cc3cccs3)C2)on1.
What is the InChIKey of 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is DURDFWVFQJFOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-9-18(26-23-13)17-11-21-14(2)22-20(17)15-5-3-7-24(12-15)19(25)10-16-6-4-8-27-16/h4,6,8-9,11,15H,3,5,7,10,12H2,1-2H3.
What are the key properties of 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 382.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 16670298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).