(2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one

C18H17N3O3S — CID 40725686

IUPAC(2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one
SMILESCCOc1ccc(C(=O)[C@@H](C)n2nc(-c3ccncc3)oc2=S)cc1
InChIInChI=1S/C18H17N3O3S/c1-3-23-15-6-4-13(5-7-15)16(22)12(2)21-18(25)24-17(20-21)14-8-10-19-11-9-14/h4-12H,3H2,1-2H3/t12-/m1/s1
InChIKeyLXKLZKWUEJUDDJ-GFCCVEGCSA-N
MW355.42 g/mol
LogP4.11
Rot. Bonds6

About (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one

(2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one (PubChem CID 40725686) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one
PubChem CID40725686
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name(2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one
SMILESCCOc1ccc(C(=O)[C@@H](C)n2nc(-c3ccncc3)oc2=S)cc1
InChIInChI=1S/C18H17N3O3S/c1-3-23-15-6-4-13(5-7-15)16(22)12(2)21-18(25)24-17(20-21)14-8-10-19-11-9-14/h4-12H,3H2,1-2H3/t12-/m1/s1
InChIKeyLXKLZKWUEJUDDJ-GFCCVEGCSA-N
XLogP4.11
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one 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 (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one?
The IUPAC name of (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one (CID 40725686) is (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one?
The canonical SMILES for (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one is CCOc1ccc(C(=O)[C@@H](C)n2nc(-c3ccncc3)oc2=S)cc1.
What is the InChIKey of (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one?
The InChIKey is LXKLZKWUEJUDDJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-23-15-6-4-13(5-7-15)16(22)12(2)21-18(25)24-17(20-21)14-8-10-19-11-9-14/h4-12H,3H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one?
(2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one has a molecular weight of 355.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-ethoxyphenyl)-2-(5-pyridin-4-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)propan-1-one is sourced from PubChem (CID 40725686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).