5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C18H16F3N3O — CID 142315863

IUPAC5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1CCc1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H16F3N3O/c1-12-4-2-3-5-13(12)6-11-16-23-24-17(25-16)22-15-9-7-14(8-10-15)18(19,20)21/h2-5,7-10H,6,11H2,1H3,(H,22,24)
InChIKeyAPNPHZUPKDFUET-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.93
Rot. Bonds5

About 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 142315863) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID142315863
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCc1ccccc1CCc1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C18H16F3N3O/c1-12-4-2-3-5-13(12)6-11-16-23-24-17(25-16)22-15-9-7-14(8-10-15)18(19,20)21/h2-5,7-10H,6,11H2,1H3,(H,22,24)
InChIKeyAPNPHZUPKDFUET-UHFFFAOYSA-N
XLogP4.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62366082
5-(2-aminoethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966399
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
5-(2-chloroethyl)-N-(3-ethyl-4-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 114250926
5-(2-aminoethyl)-N-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106966390
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588
2-[5-[3-(methylamino)propyl]-1,3,4-oxadiazol-2-yl]-N-[4-(trifluoromethyl)phenyl]aniline
CID 155211862
5-(2-chloroethyl)-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106957638
2-methyl-N-[2-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62164351
methyl 2-[4-[[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]acetate
CID 110456627
5-(2-aminoethyl)-N-(4-butylphenyl)-1,3,4-oxadiazol-2-amine
CID 106968856
5-(2-morpholin-4-ylethyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 110456556

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 142315863) is 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is Cc1ccccc1CCc1nnc(Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is APNPHZUPKDFUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-12-4-2-3-5-13(12)6-11-16-23-24-17(25-16)22-15-9-7-14(8-10-15)18(19,20)21/h2-5,7-10H,6,11H2,1H3,(H,22,24).
What are the key properties of 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 347.34 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenyl)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 142315863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).