2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide

C13H15N5O3 — CID 16665859

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)NC3CCOCC3)cn2)no1
InChIInChI=1S/C13H15N5O3/c1-8-16-12(18-21-8)11-14-6-9(7-15-11)13(19)17-10-2-4-20-5-3-10/h6-7,10H,2-5H2,1H3,(H,17,19)
InChIKeyICNLCSDZTZUTKD-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.74
Rot. Bonds3

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide (PubChem CID 16665859) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide
PubChem CID16665859
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide
SMILESCc1nc(-c2ncc(C(=O)NC3CCOCC3)cn2)no1
InChIInChI=1S/C13H15N5O3/c1-8-16-12(18-21-8)11-14-6-9(7-15-11)13(19)17-10-2-4-20-5-3-10/h6-7,10H,2-5H2,1H3,(H,17,19)
InChIKeyICNLCSDZTZUTKD-UHFFFAOYSA-N
XLogP0.74
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide 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 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide (CID 16665859) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide is Cc1nc(-c2ncc(C(=O)NC3CCOCC3)cn2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
The InChIKey is ICNLCSDZTZUTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-16-12(18-21-8)11-14-6-9(7-15-11)13(19)17-10-2-4-20-5-3-10/h6-7,10H,2-5H2,1H3,(H,17,19).
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(oxan-4-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 16665859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).