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

C11H11ClN4O2 — CID 110318337

IUPAC1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CNC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C11H11ClN4O2/c1-7-15-16-10(18-7)6-13-11(17)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H2,13,14,17)
InChIKeyKIMPIZULUFCOBZ-UHFFFAOYSA-N
MW266.69 g/mol
LogP2.35
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 110318337) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID110318337
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CNC(=O)Nc2cccc(Cl)c2)o1
InChIInChI=1S/C11H11ClN4O2/c1-7-15-16-10(18-7)6-13-11(17)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H2,13,14,17)
InChIKeyKIMPIZULUFCOBZ-UHFFFAOYSA-N
XLogP2.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110368299
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
1-(3-chlorophenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6462207
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(propanoylamino)benzamide
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1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
CID 110874649
3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670377
1-(3-chlorophenyl)-3-[2-(5-methylfuran-2-yl)ethyl]urea
CID 38285214
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(1-propylbenzimidazol-5-yl)urea
CID 118776234
1-(3-chlorophenyl)-3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 110775214
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-[(1-methylpyrrol-2-yl)methyl]urea
CID 110473507

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 110318337) is 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is Cc1nnc(CNC(=O)Nc2cccc(Cl)c2)o1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is KIMPIZULUFCOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-7-15-16-10(18-7)6-13-11(17)14-9-4-2-3-8(12)5-9/h2-5H,6H2,1H3,(H2,13,14,17).
What are the key properties of 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 266.69 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 110318337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).