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

C15H14F6N4O3 — CID 71515816

IUPAC(2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESC=C(C)c1c(N)c(-c2nnc([C@](C)(O)C(F)(F)F)o2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C15H14F6N4O3/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/h26H,1,22H2,2-4H3/t13-/m0/s1
InChIKeyIPXOIMMPOYXWFR-ZDUSSCGKSA-N
MW412.29 g/mol
LogP3.54
Rot. Bonds4

About (2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-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-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71515816) has the molecular formula C15H14F6N4O3 and a molecular weight of 412.29 g/mol. Its IUPAC name is (2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-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-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71515816
Molecular FormulaC15H14F6N4O3
Molecular Weight412.29 g/mol
Exact Mass412.10
IUPAC Name(2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESC=C(C)c1c(N)c(-c2nnc([C@](C)(O)C(F)(F)F)o2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C15H14F6N4O3/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/h26H,1,22H2,2-4H3/t13-/m0/s1
InChIKeyIPXOIMMPOYXWFR-ZDUSSCGKSA-N
XLogP3.54
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-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-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (CID 71515816) is (2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-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-prop-1-en-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-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is C=C(C)c1c(N)c(-c2nnc([C@](C)(O)C(F)(F)F)o2)nc(OC)c1C(F)(F)F.
What is the InChIKey of (2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is IPXOIMMPOYXWFR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14F6N4O3/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/h26H,1,22H2,2-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-[5-[3-amino-6-methoxy-4-prop-1-en-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-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 412.29 g/mol, XLogP of 3.54, 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-prop-1-en-2-yl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71515816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).