3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine

C22H17F2N3O — CID 175858968

IUPAC3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1oncc1C(Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C22H17F2N3O/c23-16-9-14(10-17(24)12-16)11-19(15-5-2-1-3-6-15)20-13-27-28-21(20)18-7-4-8-26-22(18)25/h1-10,12-13,19H,11H2,(H2,25,26)
InChIKeyPXTPSMFXFLHHKW-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.97
Rot. Bonds5

About 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 175858968) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID175858968
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1oncc1C(Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C22H17F2N3O/c23-16-9-14(10-17(24)12-16)11-19(15-5-2-1-3-6-15)20-13-27-28-21(20)18-7-4-8-26-22(18)25/h1-10,12-13,19H,11H2,(H2,25,26)
InChIKeyPXTPSMFXFLHHKW-UHFFFAOYSA-N
XLogP4.97
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 175858968) is 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1oncc1C(Cc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is PXTPSMFXFLHHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-16-9-14(10-17(24)12-16)11-19(15-5-2-1-3-6-15)20-13-27-28-21(20)18-7-4-8-26-22(18)25/h1-10,12-13,19H,11H2,(H2,25,26).
What are the key properties of 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 377.39 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3,5-difluorophenyl)-1-phenylethyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 175858968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).