2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide

C18H17N3O3S — CID 9404661

IUPAC2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-3-10-21(14-7-5-4-6-8-14)16(22)12-25-18-20-19-17(24-18)15-9-11-23-13(15)2/h3-9,11H,1,10,12H2,2H3
InChIKeyMQUHWGQSXOJTBD-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.95
Rot. Bonds7

About 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide (PubChem CID 9404661) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide
PubChem CID9404661
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1
InChIInChI=1S/C18H17N3O3S/c1-3-10-21(14-7-5-4-6-8-14)16(22)12-25-18-20-19-17(24-18)15-9-11-23-13(15)2/h3-9,11H,1,10,12H2,2H3
InChIKeyMQUHWGQSXOJTBD-UHFFFAOYSA-N
XLogP3.95
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
3-(4-fluoro-N-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]anilino)propanamide
CID 27325313
N-[(E)-benzylideneamino]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 43033343
N-cyclohexyl-N-methyl-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3651153
N-(cyanomethyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 7815925
tert-butyl 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78763965
N-tert-butyl-2-[methyl-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 9404824
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-bis(prop-2-enyl)acetamide
CID 99139286
N-(cyanomethyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 8663158
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide
CID 31101446
N-methyl-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 7683159
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
CID 3386629

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide (CID 9404661) is 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1.
What is the InChIKey of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is MQUHWGQSXOJTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-3-10-21(14-7-5-4-6-8-14)16(22)12-25-18-20-19-17(24-18)15-9-11-23-13(15)2/h3-9,11H,1,10,12H2,2H3.
What are the key properties of 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide?
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 355.42 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 9404661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).