2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide

C17H16ClN3O3S — CID 50759779

IUPAC2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(SCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NCc1ccco1
InChIInChI=1S/C17H16ClN3O3S/c1-11(17(22)19-9-14-3-2-8-23-14)25-10-15-20-16(21-24-15)12-4-6-13(18)7-5-12/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyJQYMPNUHGCUWDF-UHFFFAOYSA-N
MW377.85 g/mol
LogP3.92
Rot. Bonds7

About 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 50759779) has the molecular formula C17H16ClN3O3S and a molecular weight of 377.85 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
PubChem CID50759779
Molecular FormulaC17H16ClN3O3S
Molecular Weight377.85 g/mol
Exact Mass377.06
IUPAC Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
SMILESCC(SCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NCc1ccco1
InChIInChI=1S/C17H16ClN3O3S/c1-11(17(22)19-9-14-3-2-8-23-14)25-10-15-20-16(21-24-15)12-4-6-13(18)7-5-12/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyJQYMPNUHGCUWDF-UHFFFAOYSA-N
XLogP3.92
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 92886975
(2R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 97267211
2-(4-chlorophenyl)sulfanyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 132658655
(2S)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7558886
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butanoic acid
CID 105352628
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 42948809
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 9482323
N-(furan-2-ylmethyl)-2-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylacetamide
CID 97089602
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 7870521
5-[[2-[(4-chlorophenyl)methylsulfanyl]propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118768339
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(furan-2-ylmethyl)piperidine-1-carboxamide
CID 46296065
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]benzoic acid
CID 29127086

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide (CID 50759779) is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide is CC(SCc1nc(-c2ccc(Cl)cc2)no1)C(=O)NCc1ccco1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is JQYMPNUHGCUWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3S/c1-11(17(22)19-9-14-3-2-8-23-14)25-10-15-20-16(21-24-15)12-4-6-13(18)7-5-12/h2-8,11H,9-10H2,1H3,(H,19,22).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide?
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 377.85 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 50759779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).