[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine

C13H16N2O — CID 170752586

IUPAC[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine
SMILESCCc1ccccc1-c1nc(CN)c(C)o1
InChIInChI=1S/C13H16N2O/c1-3-10-6-4-5-7-11(10)13-15-12(8-14)9(2)16-13/h4-7H,3,8,14H2,1-2H3
InChIKeyKPXCDXLNXPUAFG-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.67
Rot. Bonds3

About [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine

[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine (PubChem CID 170752586) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine
PubChem CID170752586
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine
SMILESCCc1ccccc1-c1nc(CN)c(C)o1
InChIInChI=1S/C13H16N2O/c1-3-10-6-4-5-7-11(10)13-15-12(8-14)9(2)16-13/h4-7H,3,8,14H2,1-2H3
InChIKeyKPXCDXLNXPUAFG-UHFFFAOYSA-N
XLogP2.67
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;1,1,3-trimethylcyclohexane
CID 170752585
[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156813
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
(5-methyl-2-pyridin-2-yl-1,3-oxazol-4-yl)methanamine
CID 82281196
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
CID 82219974
(2-ethyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82502441
2-(2-bromophenyl)-4-(chloromethyl)-5-methyl-1,3-oxazole
CID 53403506
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909
N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110421860
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
CID 20955573

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine (CID 170752586) is [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine is CCc1ccccc1-c1nc(CN)c(C)o1.
What is the InChIKey of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine?
The InChIKey is KPXCDXLNXPUAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-6-4-5-7-11(10)13-15-12(8-14)9(2)16-13/h4-7H,3,8,14H2,1-2H3.
What are the key properties of [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine?
[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine has a molecular weight of 216.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 170752586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).