(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol

C11H13N3O2S — CID 113355469

IUPAC(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2nnc(C)o2)cn1
InChIInChI=1S/C11H13N3O2S/c1-3-10(15)9-5-4-8(6-12-9)17-11-14-13-7(2)16-11/h4-6,10,15H,3H2,1-2H3/t10-/m0/s1
InChIKeyKQBOAKPQSMNVHM-JTQLQIEISA-N
MW251.31 g/mol
LogP2.37
Rot. Bonds4

About (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol

(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol (PubChem CID 113355469) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol
PubChem CID113355469
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2nnc(C)o2)cn1
InChIInChI=1S/C11H13N3O2S/c1-3-10(15)9-5-4-8(6-12-9)17-11-14-13-7(2)16-11/h4-6,10,15H,3H2,1-2H3/t10-/m0/s1
InChIKeyKQBOAKPQSMNVHM-JTQLQIEISA-N
XLogP2.37
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol (CID 113355469) is (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(Sc2nnc(C)o2)cn1.
What is the InChIKey of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
The InChIKey is KQBOAKPQSMNVHM-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-10(15)9-5-4-8(6-12-9)17-11-14-13-7(2)16-11/h4-6,10,15H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol has a molecular weight of 251.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113355469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).