5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine

C17H22N2O — CID 107186032

IUPAC5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C2CCCC2(C)C)cc1
InChIInChI=1S/C17H22N2O/c1-11-6-8-12(9-7-11)14-15(20-19-16(14)18)13-5-4-10-17(13,2)3/h6-9,13H,4-5,10H2,1-3H3,(H2,18,19)
InChIKeyJMEGTDIENIOUHD-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.53
Rot. Bonds2

About 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine

5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 107186032) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID107186032
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1ccc(-c2c(N)noc2C2CCCC2(C)C)cc1
InChIInChI=1S/C17H22N2O/c1-11-6-8-12(9-7-11)14-15(20-19-16(14)18)13-5-4-10-17(13,2)3/h6-9,13H,4-5,10H2,1-3H3,(H2,18,19)
InChIKeyJMEGTDIENIOUHD-UHFFFAOYSA-N
XLogP4.53
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-(4-methylphenyl)-5-(oxan-4-yl)-1,2-oxazol-3-amine
CID 66200869
5-(2,2-dimethylcyclohexyl)-4-ethyl-1,2-oxazol-3-amine
CID 107186010
5-(4-methylphenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66199506
5-cyclobutyl-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66197889
4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine
CID 66199516
5-(2-cyclohexylethyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199268
3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3-(2,2-dimethylcyclopentyl)-1,2-oxazol-5-amine
CID 107179723
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (CID 107186032) is 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is Cc1ccc(-c2c(N)noc2C2CCCC2(C)C)cc1.
What is the InChIKey of 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is JMEGTDIENIOUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-6-8-12(9-7-11)14-15(20-19-16(14)18)13-5-4-10-17(13,2)3/h6-9,13H,4-5,10H2,1-3H3,(H2,18,19).
What are the key properties of 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 270.38 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 107186032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).