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

C15H18N2O2 — CID 107001939

IUPAC3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C3CC3(C)C)noc2N)cc1
InChIInChI=1S/C15H18N2O2/c1-15(2)8-11(15)13-12(14(16)19-17-13)9-4-6-10(18-3)7-5-9/h4-7,11H,8,16H2,1-3H3
InChIKeyARWBMZZPJCMCCT-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.45
Rot. Bonds3

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

3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 107001939) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID107001939
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C3CC3(C)C)noc2N)cc1
InChIInChI=1S/C15H18N2O2/c1-15(2)8-11(15)13-12(14(16)19-17-13)9-4-6-10(18-3)7-5-9/h4-7,11H,8,16H2,1-3H3
InChIKeyARWBMZZPJCMCCT-UHFFFAOYSA-N
XLogP3.45
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 107001966
3-[(dimethylamino)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983312
3-[(4-ethylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 20983318
4-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-5-amine
CID 46227182
5-(2,2-dimethylcyclopropyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 57030151
3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
3-(2-ethoxyethyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335930
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
4-(3-chloro-4-methoxyphenyl)-3-cyclopropyl-1,2-oxazol-5-amine
CID 82091592
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 107001939) is 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(C3CC3(C)C)noc2N)cc1.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is ARWBMZZPJCMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2)8-11(15)13-12(14(16)19-17-13)9-4-6-10(18-3)7-5-9/h4-7,11H,8,16H2,1-3H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107001939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).