5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine

C19H14F2N2O — CID 122461130

IUPAC5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(o2)C=CN(Cc2ccccc2)C3)cc1F
InChIInChI=1S/C19H14F2N2O/c20-15-7-6-14(10-16(15)21)19-22-17-12-23(9-8-18(17)24-19)11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeyFWODMMPTGMIBKC-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.61
Rot. Bonds3

About 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine

5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 122461130) has the molecular formula C19H14F2N2O and a molecular weight of 324.33 g/mol. Its IUPAC name is 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID122461130
Molecular FormulaC19H14F2N2O
Molecular Weight324.33 g/mol
Exact Mass324.11
IUPAC Name5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(o2)C=CN(Cc2ccccc2)C3)cc1F
InChIInChI=1S/C19H14F2N2O/c20-15-7-6-14(10-16(15)21)19-22-17-12-23(9-8-18(17)24-19)11-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeyFWODMMPTGMIBKC-UHFFFAOYSA-N
XLogP4.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine (CID 122461130) is 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine is Fc1ccc(-c2nc3c(o2)C=CN(Cc2ccccc2)C3)cc1F.
What is the InChIKey of 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is FWODMMPTGMIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O/c20-15-7-6-14(10-16(15)21)19-22-17-12-23(9-8-18(17)24-19)11-13-4-2-1-3-5-13/h1-10H,11-12H2.
What are the key properties of 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine?
5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 324.33 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 122461130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).