2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine

C15H20N2O2 — CID 96665567

IUPAC2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCOc1ccc(C(C)C)cc1-c1cc(CCN)no1
InChIInChI=1S/C15H20N2O2/c1-10(2)11-4-5-14(18-3)13(8-11)15-9-12(6-7-16)17-19-15/h4-5,8-10H,6-7,16H2,1-3H3
InChIKeyMSLRVTVCOPYGEK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.97
Rot. Bonds5

About 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine

2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine (PubChem CID 96665567) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
PubChem CID96665567
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine
SMILESCOc1ccc(C(C)C)cc1-c1cc(CCN)no1
InChIInChI=1S/C15H20N2O2/c1-10(2)11-4-5-14(18-3)13(8-11)15-9-12(6-7-16)17-19-15/h4-5,8-10H,6-7,16H2,1-3H3
InChIKeyMSLRVTVCOPYGEK-UHFFFAOYSA-N
XLogP2.97
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazol-3-yl]ethanamine
CID 82479464
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
3-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1,2-oxazol-5-amine
CID 82086137
5-(2-methoxy-5-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117405267
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
2-[4-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475742
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82484705
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 82160263
[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98019625
[5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-3-yl]methanol
CID 82049731

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine (CID 96665567) is 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine is COc1ccc(C(C)C)cc1-c1cc(CCN)no1.
What is the InChIKey of 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine?
The InChIKey is MSLRVTVCOPYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)11-4-5-14(18-3)13(8-11)15-9-12(6-7-16)17-19-15/h4-5,8-10H,6-7,16H2,1-3H3.
What are the key properties of 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine?
2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-yl]ethanamine is sourced from PubChem (CID 96665567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).