4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline

C19H18F3N3O — CID 97070640

IUPAC4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
SMILESCc1ccc(-c2nnc([C@H](C)Nc3ccc(C)c(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C19H18F3N3O/c1-11-4-7-14(8-5-11)18-25-24-17(26-18)13(3)23-15-9-6-12(2)16(10-15)19(20,21)22/h4-10,13,23H,1-3H3/t13-/m0/s1
InChIKeyBGNHPJGIXVFROE-ZDUSSCGKSA-N
MW361.37 g/mol
LogP5.55
Rot. Bonds4

About 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline

4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline (PubChem CID 97070640) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
PubChem CID97070640
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
SMILESCc1ccc(-c2nnc([C@H](C)Nc3ccc(C)c(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C19H18F3N3O/c1-11-4-7-14(8-5-11)18-25-24-17(26-18)13(3)23-15-9-6-12(2)16(10-15)19(20,21)22/h4-10,13,23H,1-3H3/t13-/m0/s1
InChIKeyBGNHPJGIXVFROE-ZDUSSCGKSA-N
XLogP5.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.37
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)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 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline (CID 97070640) is 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline is Cc1ccc(-c2nnc([C@H](C)Nc3ccc(C)c(C(F)(F)F)c3)o2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is BGNHPJGIXVFROE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-11-4-7-14(8-5-11)18-25-24-17(26-18)13(3)23-15-9-6-12(2)16(10-15)19(20,21)22/h4-10,13,23H,1-3H3/t13-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 361.37 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 97070640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).