Skip to content

2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline

C25H20FN5O3 — CID 67215354

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline
SMILESCOc1cc(NCc2ccccn2)c(F)cc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C25H20FN5O3/c1-15-22(23(31-34-15)16-8-4-3-5-9-16)25-30-29-24(33-25)18-12-19(26)20(13-21(18)32-2)28-14-17-10-6-7-11-27-17/h3-13,28H,14H2,1-2H3
InChIKeyIVGQWEHWOLTXTR-UHFFFAOYSA-N
MW457.47 g/mol
LogP5.52
Rot. Bonds7

About 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline

2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline (PubChem CID 67215354) has the molecular formula C25H20FN5O3 and a molecular weight of 457.47 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline
PubChem CID67215354
Molecular FormulaC25H20FN5O3
Molecular Weight457.47 g/mol
Exact Mass457.16
IUPAC Name2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline
SMILESCOc1cc(NCc2ccccn2)c(F)cc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1
InChIInChI=1S/C25H20FN5O3/c1-15-22(23(31-34-15)16-8-4-3-5-9-16)25-30-29-24(33-25)18-12-19(26)20(13-21(18)32-2)28-14-17-10-6-7-11-27-17/h3-13,28H,14H2,1-2H3
InChIKeyIVGQWEHWOLTXTR-UHFFFAOYSA-N
XLogP5.52
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline 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 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline (CID 67215354) is 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline is COc1cc(NCc2ccccn2)c(F)cc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1.
What is the InChIKey of 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is IVGQWEHWOLTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3/c1-15-22(23(31-34-15)16-8-4-3-5-9-16)25-30-29-24(33-25)18-12-19(26)20(13-21(18)32-2)28-14-17-10-6-7-11-27-17/h3-13,28H,14H2,1-2H3.
What are the key properties of 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline?
2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 457.47 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-4-[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 67215354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.