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

C19H16F6N4O3 — CID 86729588

IUPAC6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine
SMILESCOc1nc(-c2nnc(C(C)(OCc3ccccc3)C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C19H16F6N4O3/c1-17(19(23,24)25,31-9-10-6-4-3-5-7-10)16-29-28-15(32-16)13-12(26)8-11(18(20,21)22)14(27-13)30-2/h3-8H,9,26H2,1-2H3
InChIKeyGEUCXXLEOWXDRF-UHFFFAOYSA-N
MW462.35 g/mol
LogP4.74
Rot. Bonds6

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

6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine (PubChem CID 86729588) has the molecular formula C19H16F6N4O3 and a molecular weight of 462.35 g/mol. Its IUPAC name is 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine
PubChem CID86729588
Molecular FormulaC19H16F6N4O3
Molecular Weight462.35 g/mol
Exact Mass462.11
IUPAC Name6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine
SMILESCOc1nc(-c2nnc(C(C)(OCc3ccccc3)C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C19H16F6N4O3/c1-17(19(23,24)25,31-9-10-6-4-3-5-7-10)16-29-28-15(32-16)13-12(26)8-11(18(20,21)22)14(27-13)30-2/h3-8H,9,26H2,1-2H3
InChIKeyGEUCXXLEOWXDRF-UHFFFAOYSA-N
XLogP4.74
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
The IUPAC name of 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine (CID 86729588) is 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine is COc1nc(-c2nnc(C(C)(OCc3ccccc3)C(F)(F)F)o2)c(N)cc1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
The InChIKey is GEUCXXLEOWXDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N4O3/c1-17(19(23,24)25,31-9-10-6-4-3-5-7-10)16-29-28-15(32-16)13-12(26)8-11(18(20,21)22)14(27-13)30-2/h3-8H,9,26H2,1-2H3.
What are the key properties of 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine?
6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine has a molecular weight of 462.35 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]pyridin-3-amine is sourced from PubChem (CID 86729588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).