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

C15H12F2N2O2 — CID 29091126

IUPAC4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C)noc3n2)cc1
InChIInChI=1S/C15H12F2N2O2/c1-8-13-11(14(16)17)7-12(18-15(13)21-19-8)9-3-5-10(20-2)6-4-9/h3-7,14H,1-2H3
InChIKeyYOWTXHLZHUAERR-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.14
Rot. Bonds3

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

4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 29091126) has the molecular formula C15H12F2N2O2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID29091126
Molecular FormulaC15H12F2N2O2
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2cc(C(F)F)c3c(C)noc3n2)cc1
InChIInChI=1S/C15H12F2N2O2/c1-8-13-11(14(16)17)7-12(18-15(13)21-19-8)9-3-5-10(20-2)6-4-9/h3-7,14H,1-2H3
InChIKeyYOWTXHLZHUAERR-UHFFFAOYSA-N
XLogP4.14
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine (CID 29091126) is 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine is COc1ccc(-c2cc(C(F)F)c3c(C)noc3n2)cc1.
What is the InChIKey of 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is YOWTXHLZHUAERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O2/c1-8-13-11(14(16)17)7-12(18-15(13)21-19-8)9-3-5-10(20-2)6-4-9/h3-7,14H,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 290.27 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 29091126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).