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

C11H12N4O4S — CID 9188540

IUPAC1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
SMILESCS(=O)(=O)c1nnc(CNC(=O)Nc2ccccc2)o1
InChIInChI=1S/C11H12N4O4S/c1-20(17,18)11-15-14-9(19-11)7-12-10(16)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,16)
InChIKeyDOWJNURGKBBGKD-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.79
Rot. Bonds4

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

1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea (PubChem CID 9188540) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
PubChem CID9188540
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea
SMILESCS(=O)(=O)c1nnc(CNC(=O)Nc2ccccc2)o1
InChIInChI=1S/C11H12N4O4S/c1-20(17,18)11-15-14-9(19-11)7-12-10(16)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,16)
InChIKeyDOWJNURGKBBGKD-UHFFFAOYSA-N
XLogP0.79
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
(E)-N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 9188470
1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-phenylurea
CID 110319278
N-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
CID 9188441
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenoxyacetamide
CID 9188757
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318337
4-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 9189319
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110368299
2-methyl-N-[5-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pentyl]benzamide
CID 9189066

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea?
The IUPAC name of 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea (CID 9188540) is 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea is CS(=O)(=O)c1nnc(CNC(=O)Nc2ccccc2)o1.
What is the InChIKey of 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea?
The InChIKey is DOWJNURGKBBGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-20(17,18)11-15-14-9(19-11)7-12-10(16)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,12,13,16).
What are the key properties of 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea?
1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea has a molecular weight of 296.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-phenylurea is sourced from PubChem (CID 9188540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).