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

C15H17ClN4O2 — CID 2444737

IUPAC1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)NC1CCCCC1
InChIInChI=1S/C15H17ClN4O2/c16-11-8-6-10(7-9-11)13-19-20-15(22-13)18-14(21)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,17,18,20,21)
InChIKeyNJBUYYXFZJPOGS-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.84
Rot. Bonds3

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

1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea (PubChem CID 2444737) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea
PubChem CID2444737
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)NC1CCCCC1
InChIInChI=1S/C15H17ClN4O2/c16-11-8-6-10(7-9-11)13-19-20-15(22-13)18-14(21)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,17,18,20,21)
InChIKeyNJBUYYXFZJPOGS-UHFFFAOYSA-N
XLogP3.84
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4128171
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
5-(4-chlorophenyl)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3,4-oxadiazol-2-amine
CID 658858
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 4531090
4-chloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 691499
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 805087
1-(2-Chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]urea
CID 2127565
Sdccgsbi-0661938.P001
CID 2127579
2-bromo-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3315017
N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
CID 3667318
4-acetyl-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4456705
N-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-N'-phenylurea
CID 13125707

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea (CID 2444737) is 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)NC1CCCCC1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea?
The InChIKey is NJBUYYXFZJPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-11-8-6-10(7-9-11)13-19-20-15(22-13)18-14(21)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,17,18,20,21).
What are the key properties of 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea?
1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea has a molecular weight of 320.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-cyclohexylurea is sourced from PubChem (CID 2444737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).