3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine

C17H14F2N2O2 — CID 29091526

IUPAC3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C4CC4)noc3n2)cc1
InChIInChI=1S/C17H14F2N2O2/c1-22-11-6-4-9(5-7-11)13-8-12(16(18)19)14-15(10-2-3-10)21-23-17(14)20-13/h4-8,10,16H,2-3H2,1H3
InChIKeyRMSHVJZACSCDGE-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.71
Rot. Bonds4

About 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091526) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091526
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C4CC4)noc3n2)cc1
InChIInChI=1S/C17H14F2N2O2/c1-22-11-6-4-9(5-7-11)13-8-12(16(18)19)14-15(10-2-3-10)21-23-17(14)20-13/h4-8,10,16H,2-3H2,1H3
InChIKeyRMSHVJZACSCDGE-UHFFFAOYSA-N
XLogP4.71
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[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-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine (CID 29091526) is 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine is COc1ccc(-c2cc(C(F)F)c3c(C4CC4)noc3n2)cc1.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is RMSHVJZACSCDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-22-11-6-4-9(5-7-11)13-8-12(16(18)19)14-15(10-2-3-10)21-23-17(14)20-13/h4-8,10,16H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 316.31 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-6-(4-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).