N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine

C15H19N3O2 — CID 4054774

IUPACN-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-13-9-7-11(8-10-13)14-17-15(20-18-14)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,17,18)
InChIKeyQKDOIRBZSQMDDP-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.49
Rot. Bonds4

About N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine

N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 4054774) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID4054774
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCOc1ccc(-c2noc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H19N3O2/c1-19-13-9-7-11(8-10-13)14-17-15(20-18-14)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,17,18)
InChIKeyQKDOIRBZSQMDDP-UHFFFAOYSA-N
XLogP3.49
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 4054774) is N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is COc1ccc(-c2noc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is QKDOIRBZSQMDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-19-13-9-7-11(8-10-13)14-17-15(20-18-14)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,16,17,18).
What are the key properties of N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 273.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 4054774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).