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

C16H22N2O2 — CID 43158422

IUPAC3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2c(CC(C)(C)C)noc2N)ccc1C
InChIInChI=1S/C16H22N2O2/c1-10-6-7-11(8-13(10)19-5)14-12(9-16(2,3)4)18-20-15(14)17/h6-8H,9,17H2,1-5H3
InChIKeyKZGYTNRAHIAWEX-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.83
Rot. Bonds3

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

3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 43158422) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
PubChem CID43158422
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2c(CC(C)(C)C)noc2N)ccc1C
InChIInChI=1S/C16H22N2O2/c1-10-6-7-11(8-13(10)19-5)14-12(9-16(2,3)4)18-20-15(14)17/h6-8H,9,17H2,1-5H3
InChIKeyKZGYTNRAHIAWEX-UHFFFAOYSA-N
XLogP3.83
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-4-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 43336126
4-(3-methoxy-4-methylphenyl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 43336125
4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine
CID 79802919
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
3-butyl-4-(3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 55130857
4-(3,4-dimethylphenyl)-5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
CID 66201314
3-tert-butyl-4-(3-methoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 43336661
4-(3-methoxy-4-methylphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66198425
5-(3-methoxy-4-methylphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525603
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82082412
[5-(3-methoxy-4-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326008
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine (CID 43158422) is 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine is COc1cc(-c2c(CC(C)(C)C)noc2N)ccc1C.
What is the InChIKey of 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is KZGYTNRAHIAWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-7-11(8-13(10)19-5)14-12(9-16(2,3)4)18-20-15(14)17/h6-8H,9,17H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine?
3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 274.36 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-4-(3-methoxy-4-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).