5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine

C13H22N2O — CID 107186010

IUPAC5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1C1CCCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-9-11(16-15-12(9)14)10-7-5-6-8-13(10,2)3/h10H,4-8H2,1-3H3,(H2,14,15)
InChIKeyMDAFJZYTZGYYOB-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.50
Rot. Bonds2

About 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine

5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine (PubChem CID 107186010) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine
PubChem CID107186010
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine
SMILESCCc1c(N)noc1C1CCCCC1(C)C
InChIInChI=1S/C13H22N2O/c1-4-9-11(16-15-12(9)14)10-7-5-6-8-13(10,2)3/h10H,4-8H2,1-3H3,(H2,14,15)
InChIKeyMDAFJZYTZGYYOB-UHFFFAOYSA-N
XLogP3.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 107186032
5-(2-adamantyl)-4-ethyl-1,2-oxazol-3-amine
CID 81096263
4-(2-chlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185895
4-(2,4-dichlorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107185949
4-(2,4-difluorophenyl)-5-(2,2-dimethylcyclopentyl)-1,2-oxazol-3-amine
CID 107186064
5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 107182962
ethyl 5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazole-3-carboxylate
CID 107183018
4-ethyl-3-(1-methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827679
3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
CID 107179723
4-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]aniline
CID 107180522
5-cyclobutyl-4-methyl-1,2-oxazol-3-amine
CID 66198796
5-(cyclopentylmethyl)-4-propyl-1,2-oxazol-3-amine
CID 79412982

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine (CID 107186010) is 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine is CCc1c(N)noc1C1CCCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine?
The InChIKey is MDAFJZYTZGYYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-9-11(16-15-12(9)14)10-7-5-6-8-13(10,2)3/h10H,4-8H2,1-3H3,(H2,14,15).
What are the key properties of 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine?
5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine has a molecular weight of 222.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine is sourced from PubChem (CID 107186010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).