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

C14H20N6O2 — CID 127319297

IUPAC1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESO=C(NCc1nc(Cn2cccn2)no1)NC1CCCCC1
InChIInChI=1S/C14H20N6O2/c21-14(17-11-5-2-1-3-6-11)15-9-13-18-12(19-22-13)10-20-8-4-7-16-20/h4,7-8,11H,1-3,5-6,9-10H2,(H2,15,17,21)
InChIKeyMCGRKUZFGBIEHP-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.45
Rot. Bonds5

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

1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea (PubChem CID 127319297) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
PubChem CID127319297
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
SMILESO=C(NCc1nc(Cn2cccn2)no1)NC1CCCCC1
InChIInChI=1S/C14H20N6O2/c21-14(17-11-5-2-1-3-6-11)15-9-13-18-12(19-22-13)10-20-8-4-7-16-20/h4,7-8,11H,1-3,5-6,9-10H2,(H2,15,17,21)
InChIKeyMCGRKUZFGBIEHP-UHFFFAOYSA-N
XLogP1.45
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea (CID 127319297) is 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea is O=C(NCc1nc(Cn2cccn2)no1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
The InChIKey is MCGRKUZFGBIEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c21-14(17-11-5-2-1-3-6-11)15-9-13-18-12(19-22-13)10-20-8-4-7-16-20/h4,7-8,11H,1-3,5-6,9-10H2,(H2,15,17,21).
What are the key properties of 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea?
1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea has a molecular weight of 304.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea is sourced from PubChem (CID 127319297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).