N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine

C19H22N4O2 — CID 44526874

IUPACN-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1onc(-c2ccccc2)c1-c1nc(NC2CCCC(C)C2)no1
InChIInChI=1S/C19H22N4O2/c1-12-7-6-10-15(11-12)20-19-21-18(25-23-19)16-13(2)24-22-17(16)14-8-4-3-5-9-14/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,20,23)
InChIKeyKFVNHEMIFGDWGF-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.69
Rot. Bonds4

About N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine

N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 44526874) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
PubChem CID44526874
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
SMILESCc1onc(-c2ccccc2)c1-c1nc(NC2CCCC(C)C2)no1
InChIInChI=1S/C19H22N4O2/c1-12-7-6-10-15(11-12)20-19-21-18(25-23-19)16-13(2)24-22-17(16)14-8-4-3-5-9-14/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,20,23)
InChIKeyKFVNHEMIFGDWGF-UHFFFAOYSA-N
XLogP4.69
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine
CID 44526872
N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526873
N-(3,3-diphenylpropyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526875
N-[(2,3-dimethoxyphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526876
N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526877
N-(N'-benzylcarbamimidoyl)-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71450033
N-(N'-benzylcarbamimidoyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 71451855
(3,5-Dimethylisoxazol-4-yl)(3-((3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)methanone
CID 86265801
5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-cyclohexyl-1,2,4-oxadiazole
CID 877608
2-(3,5-Dimethyl-1,2-oxazol-4-YL)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-YL)ethyl]acetamide
CID 91907254
(5-Methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 46096484
3-phenyl-N-{[1-(5-propyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]methyl}isoxazole-4-carboxamide
CID 131903611

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine (CID 44526874) is N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is Cc1onc(-c2ccccc2)c1-c1nc(NC2CCCC(C)C2)no1.
What is the InChIKey of N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is KFVNHEMIFGDWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-7-6-10-15(11-12)20-19-21-18(25-23-19)16-13(2)24-22-17(16)14-8-4-3-5-9-14/h3-5,8-9,12,15H,6-7,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine?
N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 338.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 44526874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).