3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine

C13H16N2O2 — CID 117336512

IUPAC3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cc(N)on2)c1C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)13-9(5-4-6-11(13)16-3)10-7-12(14)17-15-10/h4-8H,14H2,1-3H3
InChIKeyIMLKFYKQCPREPK-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.06
Rot. Bonds3

About 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine

3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117336512) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117336512
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2cc(N)on2)c1C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)13-9(5-4-6-11(13)16-3)10-7-12(14)17-15-10/h4-8H,14H2,1-3H3
InChIKeyIMLKFYKQCPREPK-UHFFFAOYSA-N
XLogP3.06
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909
3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336518
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
5-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117406877
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428576
3-[2-methoxy-6-(trifluoromethyl)phenyl]-1,2-oxazol-5-amine
CID 117398617
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117424344
3-(4-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496000

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 117336512) is 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine is COc1cccc(-c2cc(N)on2)c1C(C)C.
What is the InChIKey of 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is IMLKFYKQCPREPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)13-9(5-4-6-11(13)16-3)10-7-12(14)17-15-10/h4-8H,14H2,1-3H3.
What are the key properties of 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine has a molecular weight of 232.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117336512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).