3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide

C9H14ClN3O4S — CID 9188869

IUPAC3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide
SMILESCS(=O)(=O)c1nnc(CCCNC(=O)CCCl)o1
InChIInChI=1S/C9H14ClN3O4S/c1-18(15,16)9-13-12-8(17-9)3-2-6-11-7(14)4-5-10/h2-6H2,1H3,(H,11,14)
InChIKeyLRYJIQOIIVBAPB-UHFFFAOYSA-N
MW295.75 g/mol
LogP0.15
Rot. Bonds7

About 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide

3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide (PubChem CID 9188869) has the molecular formula C9H14ClN3O4S and a molecular weight of 295.75 g/mol. Its IUPAC name is 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide
PubChem CID9188869
Molecular FormulaC9H14ClN3O4S
Molecular Weight295.75 g/mol
Exact Mass295.04
IUPAC Name3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide
SMILESCS(=O)(=O)c1nnc(CCCNC(=O)CCCl)o1
InChIInChI=1S/C9H14ClN3O4S/c1-18(15,16)9-13-12-8(17-9)3-2-6-11-7(14)4-5-10/h2-6H2,1H3,(H,11,14)
InChIKeyLRYJIQOIIVBAPB-UHFFFAOYSA-N
XLogP0.15
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
CID 9188976
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-2-phenylacetamide
CID 9189117
2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
CID 9189066
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
(E)-3-(4-chlorophenyl)-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]prop-2-enamide
CID 9189136
(2R)-2-[[(2S)-3-methyl-2-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butanoylamino]butanoyl]amino]propanoic acid
CID 170041697
2-(2,4-dichlorophenoxy)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188783
2-(4-ethoxyphenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 9188749
N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-propan-2-ylbenzenesulfonamide
CID 9188811
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
CID 9188441
N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]-1-phenylmethanesulfonamide
CID 9189022

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide?
The IUPAC name of 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide (CID 9188869) is 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide is CS(=O)(=O)c1nnc(CCCNC(=O)CCCl)o1.
What is the InChIKey of 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide?
The InChIKey is LRYJIQOIIVBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4S/c1-18(15,16)9-13-12-8(17-9)3-2-6-11-7(14)4-5-10/h2-6H2,1H3,(H,11,14).
What are the key properties of 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide?
3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide has a molecular weight of 295.75 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 9188869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).