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

C16H14ClN3O3S — CID 60541099

IUPAC2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCc1noc(-c2ccccc2Cl)n1)NCc1ccco1
InChIInChI=1S/C16H14ClN3O3S/c17-13-6-2-1-5-12(13)16-19-14(20-23-16)9-24-10-15(21)18-8-11-4-3-7-22-11/h1-7H,8-10H2,(H,18,21)
InChIKeyLNTUMTYTHFRPRW-UHFFFAOYSA-N
MW363.83 g/mol
LogP3.53
Rot. Bonds7

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

2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 60541099) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
PubChem CID60541099
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSCc1noc(-c2ccccc2Cl)n1)NCc1ccco1
InChIInChI=1S/C16H14ClN3O3S/c17-13-6-2-1-5-12(13)16-19-14(20-23-16)9-24-10-15(21)18-8-11-4-3-7-22-11/h1-7H,8-10H2,(H,18,21)
InChIKeyLNTUMTYTHFRPRW-UHFFFAOYSA-N
XLogP3.53
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 60541127
5-(2-chlorophenyl)-3-(furan-2-ylmethylsulfonylmethyl)-1,2,4-oxadiazole
CID 2819966
N-(furan-2-ylmethyl)-2-(naphthalen-1-ylmethylsulfanyl)acetamide
CID 31087778
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168885
ethyl 2-[5-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]acetate
CID 39976943
N-(furan-2-ylmethyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 676282
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
N-benzyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367622
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43245176
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 51168945

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide (CID 60541099) is 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is O=C(CSCc1noc(-c2ccccc2Cl)n1)NCc1ccco1.
What is the InChIKey of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LNTUMTYTHFRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-13-6-2-1-5-12(13)16-19-14(20-23-16)9-24-10-15(21)18-8-11-4-3-7-22-11/h1-7H,8-10H2,(H,18,21).
What are the key properties of 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide?
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 363.83 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 60541099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).