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

C12H14N2O — CID 105454374

IUPAC2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1cccc(-c2coc(CCN)n2)c1
InChIInChI=1S/C12H14N2O/c1-9-3-2-4-10(7-9)11-8-15-12(14-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3
InChIKeyJVELFMIUUHIVID-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.15
Rot. Bonds3

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

2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 105454374) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID105454374
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCc1cccc(-c2coc(CCN)n2)c1
InChIInChI=1S/C12H14N2O/c1-9-3-2-4-10(7-9)11-8-15-12(14-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3
InChIKeyJVELFMIUUHIVID-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-[4-(4-methoxy-3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82289585
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276
2-[4-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82285403
3-[2-(3-hydroxypropyl)-1,3-oxazol-4-yl]phenol
CID 115031213
[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]methanamine
CID 121206796
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
N,N-dimethyl-1-[4-[[4-(3-methylphenyl)-1,3-oxazol-2-yl]methyl]cyclohexyl]-1-phenylmethanamine
CID 69175605
3-[4-(4-methylphenyl)-1,3-oxazol-2-yl]aniline
CID 20971452
2-[6-(3-methylphenyl)-2-pyridinyl]ethanol
CID 117001692
2-[4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82304626
5-(5-methylfuran-3-yl)-4-(3-methylphenyl)-1H-pyrazol-3-amine
CID 114821095
2-[1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]triazol-4-yl]ethanamine
CID 116641747

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine (CID 105454374) is 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine is Cc1cccc(-c2coc(CCN)n2)c1.
What is the InChIKey of 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is JVELFMIUUHIVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-3-2-4-10(7-9)11-8-15-12(14-11)5-6-13/h2-4,7-8H,5-6,13H2,1H3.
What are the key properties of 2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine?
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]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-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 105454374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).