(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide

C19H17N3O2S — CID 44921575

IUPAC(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(CCSc2ccccc2)o1
InChIInChI=1S/C19H17N3O2S/c23-17(12-11-15-7-3-1-4-8-15)20-19-22-21-18(24-19)13-14-25-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,22,23)/b12-11+
InChIKeyGMDNXQMAOMLNFC-VAWYXSNFSA-N
MW351.43 g/mol
LogP4.06
Rot. Bonds7

About (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide

(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (PubChem CID 44921575) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
PubChem CID44921575
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(CCSc2ccccc2)o1
InChIInChI=1S/C19H17N3O2S/c23-17(12-11-15-7-3-1-4-8-15)20-19-22-21-18(24-19)13-14-25-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,22,23)/b12-11+
InChIKeyGMDNXQMAOMLNFC-VAWYXSNFSA-N
XLogP4.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-phenylprop-2-enamide
CID 16917343
3-phenyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74907270
4-(benzenesulfonyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921689
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-2-carboxamide
CID 44921587
2-(4-methoxyphenyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 44921707
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-phenylsulfanylbutanamide
CID 16917444
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838897
4-(4-fluorophenyl)sulfonyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921691
2,3-dimethoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 44921656
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 78756281
N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 71962543
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide
CID 73340011

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide (CID 44921575) is (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nnc(CCSc2ccccc2)o1.
What is the InChIKey of (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
The InChIKey is GMDNXQMAOMLNFC-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-17(12-11-15-7-3-1-4-8-15)20-19-22-21-18(24-19)13-14-25-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,20,22,23)/b12-11+.
What are the key properties of (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide?
(E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide has a molecular weight of 351.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 44921575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).