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

C15H16F6N4O3 — CID 71515862

IUPAC(2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-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)c(C(C)C)c1C(F)(F)F
InChIInChI=1S/C15H16F6N4O3/c1-5(2)6-7(14(16,17)18)10(27-4)23-9(8(6)22)11-24-25-12(28-11)13(3,26)15(19,20)21/h5,26H,22H2,1-4H3/t13-/m0/s1
InChIKeyFDJPJZNPKVAQDQ-ZDUSSCGKSA-N
MW414.31 g/mol
LogP3.63
Rot. Bonds4

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

(2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71515862) has the molecular formula C15H16F6N4O3 and a molecular weight of 414.31 g/mol. Its IUPAC name is (2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-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-4-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71515862
Molecular FormulaC15H16F6N4O3
Molecular Weight414.31 g/mol
Exact Mass414.11
IUPAC Name(2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-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)c(C(C)C)c1C(F)(F)F
InChIInChI=1S/C15H16F6N4O3/c1-5(2)6-7(14(16,17)18)10(27-4)23-9(8(6)22)11-24-25-12(28-11)13(3,26)15(19,20)21/h5,26H,22H2,1-4H3/t13-/m0/s1
InChIKeyFDJPJZNPKVAQDQ-ZDUSSCGKSA-N
XLogP3.63
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-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-4-propan-2-yl-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-4-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (CID 71515862) is (2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-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-4-propan-2-yl-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-4-propan-2-yl-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)c(C(C)C)c1C(F)(F)F.
What is the InChIKey of (2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FDJPJZNPKVAQDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16F6N4O3/c1-5(2)6-7(14(16,17)18)10(27-4)23-9(8(6)22)11-24-25-12(28-11)13(3,26)15(19,20)21/h5,26H,22H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[5-[3-amino-6-methoxy-4-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 414.31 g/mol, XLogP of 3.63, 4 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-4-propan-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71515862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).