3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine

C13H16N2O2 — CID 117336518

IUPAC3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)ccc1C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)10-5-4-9(6-12(10)16-3)11-7-13(14)17-15-11/h4-8H,14H2,1-3H3
InChIKeyGPVDJHRUKVWUNL-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.06
Rot. Bonds3

About 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine

3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine (PubChem CID 117336518) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
PubChem CID117336518
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cc(N)on2)ccc1C(C)C
InChIInChI=1S/C13H16N2O2/c1-8(2)10-5-4-9(6-12(10)16-3)11-7-13(14)17-15-11/h4-8H,14H2,1-3H3
InChIKeyGPVDJHRUKVWUNL-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-methoxy-3-phenylphenyl)-1,2-oxazol-5-amine
CID 117419696
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117446070
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428576
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496000
4-(3-methoxy-4-propan-2-ylphenyl)pyridine
CID 177192747
4-(3-methoxy-4-propan-2-ylphenyl)-1H-pyrazole
CID 154987872
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine (CID 117336518) is 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine is COc1cc(-c2cc(N)on2)ccc1C(C)C.
What is the InChIKey of 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
The InChIKey is GPVDJHRUKVWUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)10-5-4-9(6-12(10)16-3)11-7-13(14)17-15-11/h4-8H,14H2,1-3H3.
What are the key properties of 3-(3-methoxy-4-propan-2-ylphenyl)-1,2-oxazol-5-amine?
3-(3-methoxy-4-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-4-propan-2-ylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117336518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).