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

C14H14F6N4O3 — CID 71515815

IUPAC(2S)-2-[5-[3-amino-4-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1c(N)c(-c2nnc([C@](C)(O)C(F)(F)F)o2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C14H14F6N4O3/c1-4-5-6(13(15,16)17)9(26-3)22-8(7(5)21)10-23-24-11(27-10)12(2,25)14(18,19)20/h25H,4,21H2,1-3H3/t12-/m0/s1
InChIKeyCTRQIOYBLMEECE-LBPRGKRZSA-N
MW400.28 g/mol
LogP3.07
Rot. Bonds4

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

(2S)-2-[5-[3-amino-4-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 71515815) has the molecular formula C14H14F6N4O3 and a molecular weight of 400.28 g/mol. Its IUPAC name is (2S)-2-[5-[3-amino-4-ethyl-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-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID71515815
Molecular FormulaC14H14F6N4O3
Molecular Weight400.28 g/mol
Exact Mass400.10
IUPAC Name(2S)-2-[5-[3-amino-4-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol
SMILESCCc1c(N)c(-c2nnc([C@](C)(O)C(F)(F)F)o2)nc(OC)c1C(F)(F)F
InChIInChI=1S/C14H14F6N4O3/c1-4-5-6(13(15,16)17)9(26-3)22-8(7(5)21)10-23-24-11(27-10)12(2,25)14(18,19)20/h25H,4,21H2,1-3H3/t12-/m0/s1
InChIKeyCTRQIOYBLMEECE-LBPRGKRZSA-N
XLogP3.07
TPSA107.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[5-[3-amino-4-ethyl-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-4-ethyl-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-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol (CID 71515815) is (2S)-2-[5-[3-amino-4-ethyl-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-ethyl-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-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is CCc1c(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-4-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CTRQIOYBLMEECE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14F6N4O3/c1-4-5-6(13(15,16)17)9(26-3)22-8(7(5)21)10-23-24-11(27-10)12(2,25)14(18,19)20/h25H,4,21H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-[5-[3-amino-4-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol?
(2S)-2-[5-[3-amino-4-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 400.28 g/mol, XLogP of 3.07, 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-4-ethyl-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 71515815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).