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

C15H18N2O — CID 107001962

IUPAC3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(C3CC3(C)C)noc2N)cc1
InChIInChI=1S/C15H18N2O/c1-9-4-6-10(7-5-9)12-13(17-18-14(12)16)11-8-15(11,2)3/h4-7,11H,8,16H2,1-3H3
InChIKeyLXYDDVGEWQISAK-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.75
Rot. Bonds2

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

3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 107001962) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID107001962
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
SMILESCc1ccc(-c2c(C3CC3(C)C)noc2N)cc1
InChIInChI=1S/C15H18N2O/c1-9-4-6-10(7-5-9)12-13(17-18-14(12)16)11-8-15(11,2)3/h4-7,11H,8,16H2,1-3H3
InChIKeyLXYDDVGEWQISAK-UHFFFAOYSA-N
XLogP3.75
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 107001939
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
3-(2-methylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107179756
3-(2,2-dimethylcyclopropyl)-4-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 107001956
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 107001969
3-(3,5-dimethylphenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830488
3-(2-methylcyclopropyl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 43158460
3-(4-fluorophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 62830483
4-(3-bromophenyl)-3-(2,2-dimethylcyclohexyl)-1,2-oxazol-5-amine
CID 107179729
5-(2,2-dimethylcyclopentyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 107186032
3-cyclopropyl-4-(2,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 82081360

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine (CID 107001962) is 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is Cc1ccc(-c2c(C3CC3(C)C)noc2N)cc1.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is LXYDDVGEWQISAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-9-4-6-10(7-5-9)12-13(17-18-14(12)16)11-8-15(11,2)3/h4-7,11H,8,16H2,1-3H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine?
3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 242.32 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107001962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).