2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol

C14H12F6N4O2 — CID 71503452

IUPAC2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1nnc(-c2nc(C3CC3)c(C(F)(F)F)cc2N)o1)C(F)(F)F
InChIInChI=1S/C14H12F6N4O2/c1-12(25,14(18,19)20)11-24-23-10(26-11)9-7(21)4-6(13(15,16)17)8(22-9)5-2-3-5/h4-5,25H,2-3,21H2,1H3
InChIKeyGILUBKYXXVYQHQ-UHFFFAOYSA-N
MW382.26 g/mol
LogP3.38
Rot. Bonds3

About 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol

2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71503452) has the molecular formula C14H12F6N4O2 and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71503452
Molecular FormulaC14H12F6N4O2
Molecular Weight382.26 g/mol
Exact Mass382.09
IUPAC Name2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1nnc(-c2nc(C3CC3)c(C(F)(F)F)cc2N)o1)C(F)(F)F
InChIInChI=1S/C14H12F6N4O2/c1-12(25,14(18,19)20)11-24-23-10(26-11)9-7(21)4-6(13(15,16)17)8(22-9)5-2-3-5/h4-5,25H,2-3,21H2,1H3
InChIKeyGILUBKYXXVYQHQ-UHFFFAOYSA-N
XLogP3.38
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (CID 71503452) is 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1nnc(-c2nc(C3CC3)c(C(F)(F)F)cc2N)o1)C(F)(F)F.
What is the InChIKey of 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GILUBKYXXVYQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N4O2/c1-12(25,14(18,19)20)11-24-23-10(26-11)9-7(21)4-6(13(15,16)17)8(22-9)5-2-3-5/h4-5,25H,2-3,21H2,1H3.
What are the key properties of 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 382.26 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-amino-6-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71503452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).