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

C14H17N3O2S — CID 47119494

IUPAC2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H17N3O2S/c1-3-9-15-12(18)10(2)20-14-17-16-13(19-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,18)
InChIKeyXOSFKCCDFPRKGS-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.74
Rot. Bonds6

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

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide (PubChem CID 47119494) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
PubChem CID47119494
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Sc1nnc(-c2ccccc2)o1
InChIInChI=1S/C14H17N3O2S/c1-3-9-15-12(18)10(2)20-14-17-16-13(19-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,18)
InChIKeyXOSFKCCDFPRKGS-UHFFFAOYSA-N
XLogP2.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-carbamoyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2638577
(2S)-N-cyclopropyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 7459294
(2S)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 8995906
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 9364426
N-(3,5-dichlorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16537072
(2S)-N-ethyl-N-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 2673980
N-(2-cyano-3-methylbutan-2-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 51140105
(2R)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide
CID 8889736
(2R)-N-(benzylcarbamoyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8553430
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]propanamide
CID 8725520
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78762908
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 9406772

Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide?
The IUPAC name of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide (CID 47119494) is 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide?
The canonical SMILES for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide is CCCNC(=O)C(C)Sc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide?
The InChIKey is XOSFKCCDFPRKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-9-15-12(18)10(2)20-14-17-16-13(19-14)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,15,18).
What are the key properties of 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide?
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide has a molecular weight of 291.38 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylpropanamide is sourced from PubChem (CID 47119494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).