5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine

C16H25N5O — CID 86786978

IUPAC5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cn1cc(CNc2nnc(C3CCCCC3)o2)cn1
InChIInChI=1S/C16H25N5O/c1-12(2)10-21-11-13(9-18-21)8-17-16-20-19-15(22-16)14-6-4-3-5-7-14/h9,11-12,14H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyXELVMNQFRSUURN-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.58
Rot. Bonds6

About 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine

5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 86786978) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID86786978
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)Cn1cc(CNc2nnc(C3CCCCC3)o2)cn1
InChIInChI=1S/C16H25N5O/c1-12(2)10-21-11-13(9-18-21)8-17-16-20-19-15(22-16)14-6-4-3-5-7-14/h9,11-12,14H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyXELVMNQFRSUURN-UHFFFAOYSA-N
XLogP3.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine (CID 86786978) is 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine is CC(C)Cn1cc(CNc2nnc(C3CCCCC3)o2)cn1.
What is the InChIKey of 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XELVMNQFRSUURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-12(2)10-21-11-13(9-18-21)8-17-16-20-19-15(22-16)14-6-4-3-5-7-14/h9,11-12,14H,3-8,10H2,1-2H3,(H,17,20).
What are the key properties of 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine?
5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 303.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86786978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).