2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine

C14H18N2O — CID 82288890

IUPAC2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)oc2C)cc1C
InChIInChI=1S/C14H18N2O/c1-9-4-5-12(8-10(9)2)14-11(3)17-13(16-14)6-7-15/h4-5,8H,6-7,15H2,1-3H3
InChIKeyGCYCBWYDCVDLNC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.77
Rot. Bonds3

About 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine

2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine (PubChem CID 82288890) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
PubChem CID82288890
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1ccc(-c2nc(CCN)oc2C)cc1C
InChIInChI=1S/C14H18N2O/c1-9-4-5-12(8-10(9)2)14-11(3)17-13(16-14)6-7-15/h4-5,8H,6-7,15H2,1-3H3
InChIKeyGCYCBWYDCVDLNC-UHFFFAOYSA-N
XLogP2.77
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine (CID 82288890) is 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine is Cc1ccc(-c2nc(CCN)oc2C)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
The InChIKey is GCYCBWYDCVDLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-4-5-12(8-10(9)2)14-11(3)17-13(16-14)6-7-15/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)-5-methyl-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82288890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).