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

C12H14N2O — CID 115022622

IUPAC2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine
SMILESCc1coc(-c2ccccc2CCN)n1
InChIInChI=1S/C12H14N2O/c1-9-8-15-12(14-9)11-5-3-2-4-10(11)6-7-13/h2-5,8H,6-7,13H2,1H3
InChIKeyKBBSSAUBFJUSAC-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.15
Rot. Bonds3

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

2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine (PubChem CID 115022622) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine
PubChem CID115022622
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine
SMILESCc1coc(-c2ccccc2CCN)n1
InChIInChI=1S/C12H14N2O/c1-9-8-15-12(14-9)11-5-3-2-4-10(11)6-7-13/h2-5,8H,6-7,13H2,1H3
InChIKeyKBBSSAUBFJUSAC-UHFFFAOYSA-N
XLogP2.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-4-methyl-1,3-oxazole
CID 146080980
2-(4-methyl-1,3-oxazol-2-yl)benzaldehyde
CID 115017229
2-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 115345494
2-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007721
2,6-difluoro-3-(4-methyl-1,3-oxazol-2-yl)aniline
CID 165455640
2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethanamine
CID 105491880
[2-[4-(aminomethyl)-1,3-oxazol-2-yl]phenyl]methanamine;[2-[4-(chloromethyl)-1,3-oxazol-2-yl]phenyl]methanamine
CID 174901363
[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 68946909
2-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65133289
2-[2-(7-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 81433835
2-[2-(5-ethyl-1,3-oxazol-4-yl)phenyl]ethanamine
CID 105470054
2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926665

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine (CID 115022622) is 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine is Cc1coc(-c2ccccc2CCN)n1.
What is the InChIKey of 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine?
The InChIKey is KBBSSAUBFJUSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-8-15-12(14-9)11-5-3-2-4-10(11)6-7-13/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine?
2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine has a molecular weight of 202.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-1,3-oxazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 115022622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).