N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine

C20H16FN3O — CID 71448253

IUPACN-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine
SMILESCN(Cc1ccccc1)c1ccc2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C20H16FN3O/c1-24(13-14-7-3-2-4-8-14)18-12-11-16-19(23-25-20(16)22-18)15-9-5-6-10-17(15)21/h2-12H,13H2,1H3
InChIKeyFKTFRTIUDSFCKK-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.67
Rot. Bonds4

About N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine

N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine (PubChem CID 71448253) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine
PubChem CID71448253
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC NameN-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine
SMILESCN(Cc1ccccc1)c1ccc2c(-c3ccccc3F)noc2n1
InChIInChI=1S/C20H16FN3O/c1-24(13-14-7-3-2-4-8-14)18-12-11-16-19(23-25-20(16)22-18)15-9-5-6-10-17(15)21/h2-12H,13H2,1H3
InChIKeyFKTFRTIUDSFCKK-UHFFFAOYSA-N
XLogP4.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine (CID 71448253) is N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine is CN(Cc1ccccc1)c1ccc2c(-c3ccccc3F)noc2n1.
What is the InChIKey of N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine?
The InChIKey is FKTFRTIUDSFCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-24(13-14-7-3-2-4-8-14)18-12-11-16-19(23-25-20(16)22-18)15-9-5-6-10-17(15)21/h2-12H,13H2,1H3.
What are the key properties of N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine?
N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine has a molecular weight of 333.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-fluorophenyl)-N-methyl-[1,2]oxazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 71448253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).