1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone

C14H16N4O3 — CID 102952993

IUPAC1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1cc(-c2noc(CC(=O)C3CCCC3)n2)ncn1
InChIInChI=1S/C14H16N4O3/c1-20-12-6-10(15-8-16-12)14-17-13(21-18-14)7-11(19)9-4-2-3-5-9/h6,8-9H,2-5,7H2,1H3
InChIKeyAXDCWCXOGIXYAE-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.84
Rot. Bonds5

About 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone

1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 102952993) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID102952993
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone
SMILESCOc1cc(-c2noc(CC(=O)C3CCCC3)n2)ncn1
InChIInChI=1S/C14H16N4O3/c1-20-12-6-10(15-8-16-12)14-17-13(21-18-14)7-11(19)9-4-2-3-5-9/h6,8-9H,2-5,7H2,1H3
InChIKeyAXDCWCXOGIXYAE-UHFFFAOYSA-N
XLogP1.84
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 102949634
1-cyclopropyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 102953051
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 102953014
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667
N-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 102949530
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 102949727
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
2-[[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 102949599
2-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylethanone
CID 103084048
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
3-(6-methoxypyrimidin-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 102949557
(1S)-3-amino-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837416

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone (CID 102952993) is 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone is COc1cc(-c2noc(CC(=O)C3CCCC3)n2)ncn1.
What is the InChIKey of 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is AXDCWCXOGIXYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-20-12-6-10(15-8-16-12)14-17-13(21-18-14)7-11(19)9-4-2-3-5-9/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 288.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 102952993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).