2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine

C9H16N2O — CID 105433846

IUPAC2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(C)Cc1coc(CCN)n1
InChIInChI=1S/C9H16N2O/c1-7(2)5-8-6-12-9(11-8)3-4-10/h6-7H,3-5,10H2,1-2H3
InChIKeyDANZWPUGNTXYCE-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds4

About 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine

2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 105433846) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID105433846
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(C)Cc1coc(CCN)n1
InChIInChI=1S/C9H16N2O/c1-7(2)5-8-6-12-9(11-8)3-4-10/h6-7H,3-5,10H2,1-2H3
InChIKeyDANZWPUGNTXYCE-UHFFFAOYSA-N
XLogP1.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084190
4-(bromomethyl)-2-(2-methylpropyl)-1,3-oxazole
CID 165441510
N-methyl-2-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084221
2-[2-(fluoromethyl)-1,3-oxazol-4-yl]ethanamine
CID 84762826
3-(2-propyl-1,3-oxazol-4-yl)propan-1-amine
CID 115084229
2-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]ethanamine
CID 116892597
1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084208
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115084227
N-[(2-ethyl-1,3-oxazol-4-yl)methyl]-6-(2-methylpropyl)pyrimidin-4-amine
CID 138031308
4-ethyl-2-(2-ethylsulfanylethyl)-1,3-oxazole
CID 122463117

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine (CID 105433846) is 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine is CC(C)Cc1coc(CCN)n1.
What is the InChIKey of 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is DANZWPUGNTXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)5-8-6-12-9(11-8)3-4-10/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 105433846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).