3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide

C18H23N5O2 — CID 127614069

IUPAC3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2nc(C3CCCC3)no2)cc(C2CC2)n1
InChIInChI=1S/C18H23N5O2/c1-11-19-14(12-6-7-12)10-15(20-11)21-16(24)8-9-17-22-18(23-25-17)13-4-2-3-5-13/h10,12-13H,2-9H2,1H3,(H,19,20,21,24)
InChIKeyJCLKHAAEMROJBN-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.27
Rot. Bonds6

About 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide (PubChem CID 127614069) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide
PubChem CID127614069
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide
SMILESCc1nc(NC(=O)CCc2nc(C3CCCC3)no2)cc(C2CC2)n1
InChIInChI=1S/C18H23N5O2/c1-11-19-14(12-6-7-12)10-15(20-11)21-16(24)8-9-17-22-18(23-25-17)13-4-2-3-5-13/h10,12-13H,2-9H2,1H3,(H,19,20,21,24)
InChIKeyJCLKHAAEMROJBN-UHFFFAOYSA-N
XLogP3.27
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide 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-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide?
The IUPAC name of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide (CID 127614069) is 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide?
The canonical SMILES for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide is Cc1nc(NC(=O)CCc2nc(C3CCCC3)no2)cc(C2CC2)n1.
What is the InChIKey of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide?
The InChIKey is JCLKHAAEMROJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-19-14(12-6-7-12)10-15(20-11)21-16(24)8-9-17-22-18(23-25-17)13-4-2-3-5-13/h10,12-13H,2-9H2,1H3,(H,19,20,21,24).
What are the key properties of 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide?
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide has a molecular weight of 341.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-(6-cyclopropyl-2-methylpyrimidin-4-yl)propanamide is sourced from PubChem (CID 127614069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).