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

C10H18N4O4S — CID 9188976

IUPAC1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
SMILESCCCNC(=O)NCCCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C10H18N4O4S/c1-3-6-11-9(15)12-7-4-5-8-13-14-10(18-8)19(2,16)17/h3-7H2,1-2H3,(H2,11,12,15)
InChIKeyLUFUUHQBKQHAFW-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.11
Rot. Bonds7

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

1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea (PubChem CID 9188976) has the molecular formula C10H18N4O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
PubChem CID9188976
Molecular FormulaC10H18N4O4S
Molecular Weight290.34 g/mol
Exact Mass290.10
IUPAC Name1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea
SMILESCCCNC(=O)NCCCc1nnc(S(C)(=O)=O)o1
InChIInChI=1S/C10H18N4O4S/c1-3-6-11-9(15)12-7-4-5-8-13-14-10(18-8)19(2,16)17/h3-7H2,1-2H3,(H2,11,12,15)
InChIKeyLUFUUHQBKQHAFW-UHFFFAOYSA-N
XLogP0.11
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]propanamide
CID 9188869
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
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
(E)-3-(4-chlorophenyl)-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]prop-2-enamide
CID 9189136
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
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
1-[[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9190676
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
CID 9188540
(2R)-2-[[(2S)-3-methyl-2-[4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)butanoylamino]butanoyl]amino]propanoic acid
CID 170041697
1-[[5-[(3-chlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-propylurea
CID 9189834

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea?
The IUPAC name of 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea (CID 9188976) is 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea.
What is the SMILES notation for 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea?
The canonical SMILES for 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea is CCCNC(=O)NCCCc1nnc(S(C)(=O)=O)o1.
What is the InChIKey of 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea?
The InChIKey is LUFUUHQBKQHAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-3-6-11-9(15)12-7-4-5-8-13-14-10(18-8)19(2,16)17/h3-7H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea?
1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea has a molecular weight of 290.34 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)propyl]-3-propylurea is sourced from PubChem (CID 9188976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).