4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide

C22H15ClF3N5O3 — CID 11663171

IUPAC4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)ccn1
InChIInChI=1S/C22H15ClF3N5O3/c1-27-19(32)18-11-15(8-9-28-18)33-14-5-2-12(3-6-14)20-30-31-21(34-20)29-13-4-7-17(23)16(10-13)22(24,25)26/h2-11H,1H3,(H,27,32)(H,29,31)
InChIKeyIXNWRGCBHSPHSK-UHFFFAOYSA-N
MW489.84 g/mol
LogP5.70
Rot. Bonds6

About 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 11663171) has the molecular formula C22H15ClF3N5O3 and a molecular weight of 489.84 g/mol. Its IUPAC name is 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID11663171
Molecular FormulaC22H15ClF3N5O3
Molecular Weight489.84 g/mol
Exact Mass489.08
IUPAC Name4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)ccn1
InChIInChI=1S/C22H15ClF3N5O3/c1-27-19(32)18-11-15(8-9-28-18)33-14-5-2-12(3-6-14)20-30-31-21(34-20)29-13-4-7-17(23)16(10-13)22(24,25)26/h2-11H,1H3,(H,27,32)(H,29,31)
InChIKeyIXNWRGCBHSPHSK-UHFFFAOYSA-N
XLogP5.70
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.84
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide 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 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide (CID 11663171) is 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-c3nnc(Nc4ccc(Cl)c(C(F)(F)F)c4)o3)cc2)ccn1.
What is the InChIKey of 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is IXNWRGCBHSPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O3/c1-27-19(32)18-11-15(8-9-28-18)33-14-5-2-12(3-6-14)20-30-31-21(34-20)29-13-4-7-17(23)16(10-13)22(24,25)26/h2-11H,1H3,(H,27,32)(H,29,31).
What are the key properties of 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 489.84 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[4-chloro-3-(trifluoromethyl)anilino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 11663171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).