3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine

C15H11F3N4O2 — CID 134133694

IUPAC3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3ccc(C(F)(F)F)nc3N)o2)cc1
InChIInChI=1S/C15H11F3N4O2/c1-23-9-4-2-8(3-5-9)13-21-22-14(24-13)10-6-7-11(15(16,17)18)20-12(10)19/h2-7H,1H3,(H2,19,20)
InChIKeyKCPSFPMXCQLXCM-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.41
Rot. Bonds3

About 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine

3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 134133694) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID134133694
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCOc1ccc(-c2nnc(-c3ccc(C(F)(F)F)nc3N)o2)cc1
InChIInChI=1S/C15H11F3N4O2/c1-23-9-4-2-8(3-5-9)13-21-22-14(24-13)10-6-7-11(15(16,17)18)20-12(10)19/h2-7H,1H3,(H2,19,20)
InChIKeyKCPSFPMXCQLXCM-UHFFFAOYSA-N
XLogP3.41
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenyl)-2-phenyl-4-(trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 1365179
2-Pyridin-3-yl-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 2744772
2-(2-Methylquinolin-3-yl)-5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazole
CID 76313601
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134141890
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propyl-6-(trifluoromethyl)pyridin-2-amine
CID 134148010
4-methoxy-N-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134150104
6-(Trifluoromethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 134154158
N-[2-(Cyclohex-1-EN-1-YL)ethyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 53134007
N-{2-[Cyclohexyl(methyl)amino]ethyl}-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 83275065
[4-(1,3,4-Oxadiazol-2-yl)phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 32068972
N-[(2-Fluorophenyl)methyl]-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-YL]pyridin-2-amine
CID 83275070
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133887124

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine (CID 134133694) is 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine is COc1ccc(-c2nnc(-c3ccc(C(F)(F)F)nc3N)o2)cc1.
What is the InChIKey of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KCPSFPMXCQLXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c1-23-9-4-2-8(3-5-9)13-21-22-14(24-13)10-6-7-11(15(16,17)18)20-12(10)19/h2-7H,1H3,(H2,19,20).
What are the key properties of 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine?
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 336.27 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134133694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).