3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

C13H15N3O2S — CID 87002332

IUPAC3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCCSCCC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C13H15N3O2S/c1-2-19-7-6-12(17)15-11-5-3-4-10(8-11)13-16-14-9-18-13/h3-5,8-9H,2,6-7H2,1H3,(H,15,17)
InChIKeyURMYLTZXULNMMT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.82
Rot. Bonds6

About 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 87002332) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID87002332
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCCSCCC(=O)Nc1cccc(-c2nnco2)c1
InChIInChI=1S/C13H15N3O2S/c1-2-19-7-6-12(17)15-11-5-3-4-10(8-11)13-16-14-9-18-13/h3-5,8-9H,2,6-7H2,1H3,(H,15,17)
InChIKeyURMYLTZXULNMMT-UHFFFAOYSA-N
XLogP2.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 55049776
2-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569206
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 51644587
2-(4-ethoxyphenyl)sulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 30823439
3-(ethylamino)-2-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 62838743
2-methyl-N-[2-[3-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]furan-3-carboxamide
CID 86823154
3-(2,4-difluorophenoxy)-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 75404395
2-methyl-3-[3-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 114897786
1-cycloheptyl-3-[3-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 47033580
(2R)-2-amino-3,3-dimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 103929614
2,4,5-trimethyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 86928806
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 87002332) is 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is CCSCCC(=O)Nc1cccc(-c2nnco2)c1.
What is the InChIKey of 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is URMYLTZXULNMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-2-19-7-6-12(17)15-11-5-3-4-10(8-11)13-16-14-9-18-13/h3-5,8-9H,2,6-7H2,1H3,(H,15,17).
What are the key properties of 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 277.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 87002332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).