1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine

C15H20N2O — CID 114160439

IUPAC1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2c(C)cc(C)cc2C)no1
InChIInChI=1S/C15H20N2O/c1-5-12(16)14-8-13(17-18-14)15-10(3)6-9(2)7-11(15)4/h6-8,12H,5,16H2,1-4H3
InChIKeySZABWCQAZMNEPG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.68
Rot. Bonds3

About 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine

1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 114160439) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID114160439
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2c(C)cc(C)cc2C)no1
InChIInChI=1S/C15H20N2O/c1-5-12(16)14-8-13(17-18-14)15-10(3)6-9(2)7-11(15)4/h6-8,12H,5,16H2,1-4H3
InChIKeySZABWCQAZMNEPG-UHFFFAOYSA-N
XLogP3.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methyl-3-pyridinyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223961
1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106224117
1-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106224091
1-[3-(1-propan-2-ylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223965
1-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106223997
1-[3-(2,3,4-trimethoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223852
1-[3-(4-fluoro-3-methylphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224128
1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223951
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
1-(3,5-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82267544
1-[3-(2-bromo-4,5-dimethoxyphenyl)-1,2-oxazol-5-yl]butan-1-amine
CID 106224350

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine (CID 114160439) is 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2c(C)cc(C)cc2C)no1.
What is the InChIKey of 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is SZABWCQAZMNEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-5-12(16)14-8-13(17-18-14)15-10(3)6-9(2)7-11(15)4/h6-8,12H,5,16H2,1-4H3.
What are the key properties of 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine?
1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 114160439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).