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

C16H12F3N3O2 — CID 118611400

IUPACN-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H12F3N3O2/c1-23-13-5-3-2-4-12(13)20-15-22-21-14(24-15)10-6-8-11(9-7-10)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyJLNGBZNHFVWKEW-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.51
Rot. Bonds4

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

N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 118611400) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID118611400
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCOc1ccccc1Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C16H12F3N3O2/c1-23-13-5-3-2-4-12(13)20-15-22-21-14(24-15)10-6-8-11(9-7-10)16(17,18)19/h2-9H,1H3,(H,20,22)
InChIKeyJLNGBZNHFVWKEW-UHFFFAOYSA-N
XLogP4.51
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(2-methoxyanilino)-1,3,4-oxadiazol-2-yl]phenol
CID 137250320
N-(2-methoxyphenyl)-5-(3-methoxy-4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 4799057
3-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43972444
7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43972317
5-(1H-indol-3-yl)-N-(2-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 175670615
(E)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 43972333
2-(4-methoxyphenoxy)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972336
2-(4-methoxyphenyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43972505
2-(2-methoxyanilino)-5-(trifluoromethyl)benzonitrile
CID 43331039
4-N-(2-methoxyphenyl)-2-methyl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878286
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
2-pyridin-4-yl-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850834

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 118611400) is N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is COc1ccccc1Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is JLNGBZNHFVWKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c1-23-13-5-3-2-4-12(13)20-15-22-21-14(24-15)10-6-8-11(9-7-10)16(17,18)19/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 335.29 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 118611400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).