1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine

C14H18N2O — CID 81171162

IUPAC1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccon2)cc1C
InChIInChI=1S/C14H18N2O/c1-10-4-5-13(8-11(10)2)12(3)15-9-14-6-7-17-16-14/h4-8,12,15H,9H2,1-3H3
InChIKeyTURYGIWVWALAAD-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.14
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine

1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 81171162) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID81171162
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ccon2)cc1C
InChIInChI=1S/C14H18N2O/c1-10-4-5-13(8-11(10)2)12(3)15-9-14-6-7-17-16-14/h4-8,12,15H,9H2,1-3H3
InChIKeyTURYGIWVWALAAD-UHFFFAOYSA-N
XLogP3.14
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170422
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 102976657
1-(2,5-dimethylfuran-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171094
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
2-[1-(1,2-oxazol-3-ylmethylamino)ethyl]benzene-1,4-diol
CID 81171172
1-(5-ethylfuran-2-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 115726406
N-(1,2-oxazol-3-ylmethyl)pentan-3-amine
CID 79002535
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176656

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 81171162) is 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2ccon2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is TURYGIWVWALAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-4-5-13(8-11(10)2)12(3)15-9-14-6-7-17-16-14/h4-8,12,15H,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 230.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 81171162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).