3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

C20H18N4O3 — CID 56804612

IUPAC3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1
InChIInChI=1S/C20H18N4O3/c1-25-16-9-5-4-8-14(16)20-23-22-18(26-20)13-10-15-17(12-6-2-3-7-12)24-27-19(15)21-11-13/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyQJISMRMROHLOPX-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.61
Rot. Bonds4

About 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56804612) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56804612
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccccc1-c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1
InChIInChI=1S/C20H18N4O3/c1-25-16-9-5-4-8-14(16)20-23-22-18(26-20)13-10-15-17(12-6-2-3-7-12)24-27-19(15)21-11-13/h4-5,8-12H,2-3,6-7H2,1H3
InChIKeyQJISMRMROHLOPX-UHFFFAOYSA-N
XLogP4.61
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine 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-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 56804612) is 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is COc1ccccc1-c1nnc(-c2cnc3onc(C4CCCC4)c3c2)o1.
What is the InChIKey of 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is QJISMRMROHLOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-25-16-9-5-4-8-14(16)20-23-22-18(26-20)13-10-15-17(12-6-2-3-7-12)24-27-19(15)21-11-13/h4-5,8-12H,2-3,6-7H2,1H3.
What are the key properties of 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 362.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56804612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).