3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine

C16H12F4N4O — CID 134153275

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cccc(F)c2)o1
InChIInChI=1S/C16H12F4N4O/c1-2-13-23-24-15(25-13)11-6-7-12(16(18,19)20)22-14(11)21-10-5-3-4-9(17)8-10/h3-8H,2H2,1H3,(H,21,22)
InChIKeyMDAPUAWDAGRRKD-UHFFFAOYSA-N
MW352.29 g/mol
LogP4.60
Rot. Bonds4

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine

3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 134153275) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID134153275
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cccc(F)c2)o1
InChIInChI=1S/C16H12F4N4O/c1-2-13-23-24-15(25-13)11-6-7-12(16(18,19)20)22-14(11)21-10-5-3-4-9(17)8-10/h3-8H,2H2,1H3,(H,21,22)
InChIKeyMDAPUAWDAGRRKD-UHFFFAOYSA-N
XLogP4.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134132159
3-[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134136485
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134141890
N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
CID 134143847
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
CID 134143904
N-(3-fluorophenyl)-3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 134146064
6-(Trifluoromethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 134154158
6-Methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 177659555
N-phenyl-5-[2-(3,4,5-trifluoroanilino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 90667487
N-(3,5-Difluorophenyl)-4-{3-[5-(propan-2-YL)-1,3,4-oxadiazol-2-YL]pyridin-2-YL}piperazine-1-carboxamide
CID 87050182
Methyl 2-[[3-tert-butyl-1-(5-fluoro-2-methylphenyl)pyrazol-5-yl]amino]-6-methylpyridine-3-carboxylate
CID 57635819
Ethyl 2-[[3-tert-butyl-1-(2,4-difluorophenyl)pyrazol-5-yl]amino]-6-methylpyridine-3-carboxylate
CID 57635837

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine (CID 134153275) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine is CCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cccc(F)c2)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MDAPUAWDAGRRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c1-2-13-23-24-15(25-13)11-6-7-12(16(18,19)20)22-14(11)21-10-5-3-4-9(17)8-10/h3-8H,2H2,1H3,(H,21,22).
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 352.29 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134153275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).