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

C12H9ClF6N4O3 — CID 71515814

IUPAC(2S)-2-[5-[3-amino-4-chloro-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)c(Cl)c1C(F)(F)F
InChIInChI=1S/C12H9ClF6N4O3/c1-10(24,12(17,18)19)9-23-22-8(26-9)6-5(20)4(13)3(11(14,15)16)7(21-6)25-2/h24H,20H2,1-2H3/t10-/m0/s1
InChIKeyGESXZHFWDCTRHG-JTQLQIEISA-N
MW406.67 g/mol
LogP3.16
Rot. Bonds3

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

(2S)-2-[5-[3-amino-4-chloro-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71515814) has the molecular formula C12H9ClF6N4O3 and a molecular weight of 406.67 g/mol. Its IUPAC name is (2S)-2-[5-[3-amino-4-chloro-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-4-chloro-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71515814
Molecular FormulaC12H9ClF6N4O3
Molecular Weight406.67 g/mol
Exact Mass406.03
IUPAC Name(2S)-2-[5-[3-amino-4-chloro-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)c(Cl)c1C(F)(F)F
InChIInChI=1S/C12H9ClF6N4O3/c1-10(24,12(17,18)19)9-23-22-8(26-9)6-5(20)4(13)3(11(14,15)16)7(21-6)25-2/h24H,20H2,1-2H3/t10-/m0/s1
InChIKeyGESXZHFWDCTRHG-JTQLQIEISA-N
XLogP3.16
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.67
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[5-[3-amino-4-chloro-6-methoxy-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-4-chloro-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-4-chloro-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (CID 71515814) is (2S)-2-[5-[3-amino-4-chloro-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-4-chloro-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-4-chloro-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)c(Cl)c1C(F)(F)F.
What is the InChIKey of (2S)-2-[5-[3-amino-4-chloro-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is GESXZHFWDCTRHG-JTQLQIEISA-N. The full InChI is InChI=1S/C12H9ClF6N4O3/c1-10(24,12(17,18)19)9-23-22-8(26-9)6-5(20)4(13)3(11(14,15)16)7(21-6)25-2/h24H,20H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-[5-[3-amino-4-chloro-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[5-[3-amino-4-chloro-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 406.67 g/mol, XLogP of 3.16, 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-4-chloro-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71515814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).