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

C16H20N4O2 — CID 110748367

IUPAC1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1nnc(-c2cccc(NC(=O)NC3CCCCC3)c2)o1
InChIInChI=1S/C16H20N4O2/c1-11-19-20-15(22-11)12-6-5-9-14(10-12)18-16(21)17-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,17,18,21)
InChIKeyFSQWMRARTALEOJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.50
Rot. Bonds3

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

1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 110748367) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID110748367
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1nnc(-c2cccc(NC(=O)NC3CCCCC3)c2)o1
InChIInChI=1S/C16H20N4O2/c1-11-19-20-15(22-11)12-6-5-9-14(10-12)18-16(21)17-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,17,18,21)
InChIKeyFSQWMRARTALEOJ-UHFFFAOYSA-N
XLogP3.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 110748367) is 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1nnc(-c2cccc(NC(=O)NC3CCCCC3)c2)o1.
What is the InChIKey of 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is FSQWMRARTALEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-19-20-15(22-11)12-6-5-9-14(10-12)18-16(21)17-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8H2,1H3,(H2,17,18,21).
What are the key properties of 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 300.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 110748367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).