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

C17H14F2N2O2 — CID 44823856

IUPAC3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2cc(C(F)F)c3c(C4CC4)noc3n2)c1
InChIInChI=1S/C17H14F2N2O2/c1-22-11-4-2-3-10(7-11)13-8-12(16(18)19)14-15(9-5-6-9)21-23-17(14)20-13/h2-4,7-9,16H,5-6H2,1H3
InChIKeyZEECKRXAFMPACN-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.71
Rot. Bonds4

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

3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 44823856) has the molecular formula C17H14F2N2O2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID44823856
Molecular FormulaC17H14F2N2O2
Molecular Weight316.31 g/mol
Exact Mass316.10
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2cc(C(F)F)c3c(C4CC4)noc3n2)c1
InChIInChI=1S/C17H14F2N2O2/c1-22-11-4-2-3-10(7-11)13-8-12(16(18)19)14-15(9-5-6-9)21-23-17(14)20-13/h2-4,7-9,16H,5-6H2,1H3
InChIKeyZEECKRXAFMPACN-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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine (CID 44823856) is 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine is COc1cccc(-c2cc(C(F)F)c3c(C4CC4)noc3n2)c1.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is ZEECKRXAFMPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O2/c1-22-11-4-2-3-10(7-11)13-8-12(16(18)19)14-15(9-5-6-9)21-23-17(14)20-13/h2-4,7-9,16H,5-6H2,1H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-6-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-6-(3-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-(3-methoxyphenyl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44823856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).