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

C12H14N2O — CID 105454401

IUPAC2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine
SMILESCc1ocnc1-c1ccc(CCN)cc1
InChIInChI=1S/C12H14N2O/c1-9-12(14-8-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3
InChIKeyZBWQJYXMFABAPV-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.15
Rot. Bonds3

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

2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine (PubChem CID 105454401) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine
PubChem CID105454401
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine
SMILESCc1ocnc1-c1ccc(CCN)cc1
InChIInChI=1S/C12H14N2O/c1-9-12(14-8-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3
InChIKeyZBWQJYXMFABAPV-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

methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
2-[4-(4-ethoxyphenyl)-1,3-oxazol-5-yl]ethanamine
CID 94685630
4-(3-bromo-4-fluorophenyl)-5-methyl-1,3-oxazole
CID 115047663
2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
2-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]ethanamine
CID 82469844
formaldehyde;2-(4-methylphenyl)ethanamine
CID 142897602
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2,6-dimethylphenyl)phenyl]ethanamine
CID 82038957
2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 62694910
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 104788960
2-[4-(3-methylsulfonyl-2-pyridinyl)phenyl]ethanamine
CID 157016183

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine (CID 105454401) is 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine is Cc1ocnc1-c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine?
The InChIKey is ZBWQJYXMFABAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-12(14-8-15-9)11-4-2-10(3-5-11)6-7-13/h2-5,8H,6-7,13H2,1H3.
What are the key properties of 2-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine?
2-[4-(5-methyl-1,3-oxazol-4-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-[4-(5-methyl-1,3-oxazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 105454401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).