1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea

C14H16Cl2N4O4S — CID 9190676

IUPAC1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H16Cl2N4O4S/c1-2-5-17-13(21)18-7-12-19-20-14(24-12)25(22,23)8-9-3-4-10(15)6-11(9)16/h3-4,6H,2,5,7-8H2,1H3,(H2,17,18,21)
InChIKeyKPEVLWYTTRXOBK-UHFFFAOYSA-N
MW407.28 g/mol
LogP2.56
Rot. Bonds7

About 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea

1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea (PubChem CID 9190676) has the molecular formula C14H16Cl2N4O4S and a molecular weight of 407.28 g/mol. Its IUPAC name is 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
PubChem CID9190676
Molecular FormulaC14H16Cl2N4O4S
Molecular Weight407.28 g/mol
Exact Mass406.03
IUPAC Name1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C14H16Cl2N4O4S/c1-2-5-17-13(21)18-7-12-19-20-14(24-12)25(22,23)8-9-3-4-10(15)6-11(9)16/h3-4,6H,2,5,7-8H2,1H3,(H2,17,18,21)
InChIKeyKPEVLWYTTRXOBK-UHFFFAOYSA-N
XLogP2.56
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea with MolForge

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Related Compounds

1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9189834
1-[2-(2,4-dichlorophenyl)ethyl]-3-propylurea
CID 47103763
1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
CID 9188976
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
1-[(2,4-dichlorophenyl)methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]urea
CID 60610484
3-[2-(2,4-dichlorophenyl)ethyl-methylsulfonylamino]-N-propylpropanamide
CID 113141414
4-N-[2-(2,4-dichlorophenyl)ethyl]-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144341
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium
CID 9303138
1-[2-(2,4-dichlorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108989707
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 55473112
N-[3-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 9190539

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
The IUPAC name of 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea (CID 9190676) is 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
The canonical SMILES for 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea is CCCNC(=O)NCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
The InChIKey is KPEVLWYTTRXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O4S/c1-2-5-17-13(21)18-7-12-19-20-14(24-12)25(22,23)8-9-3-4-10(15)6-11(9)16/h3-4,6H,2,5,7-8H2,1H3,(H2,17,18,21).
What are the key properties of 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea has a molecular weight of 407.28 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea is sourced from PubChem (CID 9190676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).