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

C17H22N4O2 — CID 118770140

IUPAC1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CNC(=O)Nc2ccc(C3CCCCC3)cc2)o1
InChIInChI=1S/C17H22N4O2/c1-12-20-21-16(23-12)11-18-17(22)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,18,19,22)
InChIKeyNMLLYWABIYECJW-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.75
Rot. Bonds4

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

1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (PubChem CID 118770140) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
PubChem CID118770140
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
SMILESCc1nnc(CNC(=O)Nc2ccc(C3CCCCC3)cc2)o1
InChIInChI=1S/C17H22N4O2/c1-12-20-21-16(23-12)11-18-17(22)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,18,19,22)
InChIKeyNMLLYWABIYECJW-UHFFFAOYSA-N
XLogP3.75
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The IUPAC name of 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea (CID 118770140) is 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is Cc1nnc(CNC(=O)Nc2ccc(C3CCCCC3)cc2)o1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
The InChIKey is NMLLYWABIYECJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-20-21-16(23-12)11-18-17(22)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,18,19,22).
What are the key properties of 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea?
1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea is sourced from PubChem (CID 118770140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).