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

C17H26N6O2 — CID 72877003

IUPAC3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCCc1noc(CN(CC)C(=O)Nc2ccnn2C2CCCCC2)n1
InChIInChI=1S/C17H26N6O2/c1-3-14-19-16(25-21-14)12-22(4-2)17(24)20-15-10-11-18-23(15)13-8-6-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,20,24)
InChIKeyXYVMHBBRIIFDNO-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.39
Rot. Bonds6

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

3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 72877003) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID72877003
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCCc1noc(CN(CC)C(=O)Nc2ccnn2C2CCCCC2)n1
InChIInChI=1S/C17H26N6O2/c1-3-14-19-16(25-21-14)12-22(4-2)17(24)20-15-10-11-18-23(15)13-8-6-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,20,24)
InChIKeyXYVMHBBRIIFDNO-UHFFFAOYSA-N
XLogP3.39
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 72877003) is 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea is CCc1noc(CN(CC)C(=O)Nc2ccnn2C2CCCCC2)n1.
What is the InChIKey of 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is XYVMHBBRIIFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-3-14-19-16(25-21-14)12-22(4-2)17(24)20-15-10-11-18-23(15)13-8-6-5-7-9-13/h10-11,13H,3-9,12H2,1-2H3,(H,20,24).
What are the key properties of 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea?
3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 346.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylpyrazol-3-yl)-1-ethyl-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 72877003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).