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

C19H18F3N3O — CID 97070639

IUPAC4-methyl-N-[(1R)-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-/m1/s1
InChIKeyBGNHPJGIXVFROE-CYBMUJFWSA-N
MW361.37 g/mol
LogP5.55
Rot. Bonds4

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

4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline (PubChem CID 97070639) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
PubChem CID97070639
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name4-methyl-N-[(1R)-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-/m1/s1
InChIKeyBGNHPJGIXVFROE-CYBMUJFWSA-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

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Related Compounds

4-methyl-N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline
CID 97070640
4-methyl-N-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 41036756
4-chloro-3-fluoro-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 99583468
N-[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,3-benzodioxol-5-amine
CID 25340888
N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 126776333
4-ethoxy-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 25357173
N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-4-piperidin-1-ylaniline
CID 25339430
2-[2-methoxy-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenoxy]acetamide
CID 60542358
N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 32509192
4-chloro-2-methoxy-5-methyl-N-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]aniline
CID 51202900
4-chloro-N-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylamino]phenyl]benzamide
CID 60582852
2-[4-methyl-3-(trifluoromethyl)anilino]propanenitrile
CID 60706592

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline (CID 97070639) is 4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-methyl-N-[(1R)-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-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is BGNHPJGIXVFROE-CYBMUJFWSA-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-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline?
4-methyl-N-[(1R)-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-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 97070639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).