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

C14H18N4O4S — CID 9189459

IUPAC1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C14H18N4O4S/c1-2-8-15-13(19)16-9-12-17-18-14(22-12)23(20,21)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,19)
InChIKeyRGPLVNHHOCWGDW-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.25
Rot. Bonds7

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

1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea (PubChem CID 9189459) has the molecular formula C14H18N4O4S and a molecular weight of 338.39 g/mol. Its IUPAC name is 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
PubChem CID9189459
Molecular FormulaC14H18N4O4S
Molecular Weight338.39 g/mol
Exact Mass338.10
IUPAC Name1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nnc(S(=O)(=O)Cc2ccccc2)o1
InChIInChI=1S/C14H18N4O4S/c1-2-8-15-13(19)16-9-12-17-18-14(22-12)23(20,21)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,19)
InChIKeyRGPLVNHHOCWGDW-UHFFFAOYSA-N
XLogP1.25
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5-benzylsulfonyl-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-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9189834
1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9190676
1-[(1S)-1-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)-2-methylpropyl]-3-propylurea
CID 9190810
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylbenzamide
CID 9189372
N-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dimethoxybenzamide
CID 9189394
N-[3-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-4-methylbenzamide
CID 9190489
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
CID 9188540
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutanamide
CID 9189591
2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole
CID 167434648
1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
CID 9188976

Frequently Asked Questions

What is the IUPAC name of 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea (CID 9189459) is 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea is CCCNC(=O)NCc1nnc(S(=O)(=O)Cc2ccccc2)o1.
What is the InChIKey of 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea?
The InChIKey is RGPLVNHHOCWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S/c1-2-8-15-13(19)16-9-12-17-18-14(22-12)23(20,21)10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H2,15,16,19).
What are the key properties of 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea?
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea has a molecular weight of 338.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea is sourced from PubChem (CID 9189459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).