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

C14H17ClN4O4S — CID 9189834

IUPAC1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1
InChIInChI=1S/C14H17ClN4O4S/c1-2-6-16-13(20)17-8-12-18-19-14(23-12)24(21,22)9-10-4-3-5-11(15)7-10/h3-5,7H,2,6,8-9H2,1H3,(H2,16,17,20)
InChIKeyPMJRBJZRISUEFF-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.91
Rot. Bonds7

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

1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea (PubChem CID 9189834) has the molecular formula C14H17ClN4O4S and a molecular weight of 372.83 g/mol. Its IUPAC name is 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
PubChem CID9189834
Molecular FormulaC14H17ClN4O4S
Molecular Weight372.83 g/mol
Exact Mass372.07
IUPAC Name1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1
InChIInChI=1S/C14H17ClN4O4S/c1-2-6-16-13(20)17-8-12-18-19-14(23-12)24(21,22)9-10-4-3-5-11(15)7-10/h3-5,7H,2,6,8-9H2,1H3,(H2,16,17,20)
InChIKeyPMJRBJZRISUEFF-UHFFFAOYSA-N
XLogP1.91
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9190676
2-[(3-chlorophenyl)methylsulfonyl]-N-propylpropanamide
CID 47155844
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
1-[(3-chlorophenyl)methyl]-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110615846
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluorobenzamide
CID 9189406
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069
1-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]-3-propylurea
CID 9190810
N-[[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62505322
[(1S)-1-[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]-2-phenylethyl]azanium chloride
CID 44665974
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 9189394
N-[[5-[(4-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxamide
CID 9189905

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
The IUPAC name of 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea (CID 9189834) is 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
The canonical SMILES for 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea is CCCNC(=O)NCc1nnc(S(=O)(=O)Cc2cccc(Cl)c2)o1.
What is the InChIKey of 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
The InChIKey is PMJRBJZRISUEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4S/c1-2-6-16-13(20)17-8-12-18-19-14(23-12)24(21,22)9-10-4-3-5-11(15)7-10/h3-5,7H,2,6,8-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea?
1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea has a molecular weight of 372.83 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea is sourced from PubChem (CID 9189834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).