5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C19H16F2N2O — CID 122460970

IUPAC5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(o2)CCN(Cc2ccccc2)C3)cc1F
InChIInChI=1S/C19H16F2N2O/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/h1-7,10H,8-9,11-12H2
InChIKeyCLQKMKBHGBRIKE-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.18
Rot. Bonds3

About 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 122460970) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID122460970
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESFc1ccc(-c2nc3c(o2)CCN(Cc2ccccc2)C3)cc1F
InChIInChI=1S/C19H16F2N2O/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/h1-7,10H,8-9,11-12H2
InChIKeyCLQKMKBHGBRIKE-UHFFFAOYSA-N
XLogP4.18
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.18
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)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 122460970) is 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is Fc1ccc(-c2nc3c(o2)CCN(Cc2ccccc2)C3)cc1F.
What is the InChIKey of 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is CLQKMKBHGBRIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/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/h1-7,10H,8-9,11-12H2.
What are the key properties of 5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
5-benzyl-2-(3,4-difluorophenyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 326.35 g/mol, XLogP of 4.18, 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)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 122460970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).