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

C12H10F6N4O3 — CID 71515757

IUPAC(2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1nc(-c2nnc([C@](C)(O)C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H10F6N4O3/c1-10(23,12(16,17)18)9-22-21-8(25-9)6-5(19)3-4(11(13,14)15)7(20-6)24-2/h3,23H,19H2,1-2H3/t10-/m0/s1
InChIKeyHMXVTLCFBUROJI-JTQLQIEISA-N
MW372.23 g/mol
LogP2.51
Rot. Bonds3

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

(2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71515757) has the molecular formula C12H10F6N4O3 and a molecular weight of 372.23 g/mol. Its IUPAC name is (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71515757
Molecular FormulaC12H10F6N4O3
Molecular Weight372.23 g/mol
Exact Mass372.07
IUPAC Name(2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCOc1nc(-c2nnc([C@](C)(O)C(F)(F)F)o2)c(N)cc1C(F)(F)F
InChIInChI=1S/C12H10F6N4O3/c1-10(23,12(16,17)18)9-22-21-8(25-9)6-5(19)3-4(11(13,14)15)7(20-6)24-2/h3,23H,19H2,1-2H3/t10-/m0/s1
InChIKeyHMXVTLCFBUROJI-JTQLQIEISA-N
XLogP2.51
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (CID 71515757) is (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is COc1nc(-c2nnc([C@](C)(O)C(F)(F)F)o2)c(N)cc1C(F)(F)F.
What is the InChIKey of (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HMXVTLCFBUROJI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H10F6N4O3/c1-10(23,12(16,17)18)9-22-21-8(25-9)6-5(19)3-4(11(13,14)15)7(20-6)24-2/h3,23H,19H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 372.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-[3-amino-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71515757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).