[3-(5H-1,2-oxazol-2-yl)phenyl]methanamine

C10H12N2O — CID 139933677

IUPAC[3-(5H-1,2-oxazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(N2C=CCO2)c1
InChIInChI=1S/C10H12N2O/c11-8-9-3-1-4-10(7-9)12-5-2-6-13-12/h1-5,7H,6,8,11H2
InChIKeyYYTBSTYSAHDRNL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.41
Rot. Bonds2

About [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine

[3-(5H-1,2-oxazol-2-yl)phenyl]methanamine (PubChem CID 139933677) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(5H-1,2-oxazol-2-yl)phenyl]methanamine
PubChem CID139933677
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name[3-(5H-1,2-oxazol-2-yl)phenyl]methanamine
SMILESNCc1cccc(N2C=CCO2)c1
InChIInChI=1S/C10H12N2O/c11-8-9-3-1-4-10(7-9)12-5-2-6-13-12/h1-5,7H,6,8,11H2
InChIKeyYYTBSTYSAHDRNL-UHFFFAOYSA-N
XLogP1.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777953
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
[3-(3-methyl-2,3-dihydropyrrol-1-yl)phenyl]methanamine
CID 163959689
(3-piperazin-1-ylphenyl)methanamine
CID 83775094
[3-(3-azabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84670926
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(3,6-diazabicyclo[3.1.1]heptan-3-yl)phenyl]methanamine
CID 84777501
[3-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 102813467
[3-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]methanamine
CID 82514499
1-[3-(aminomethyl)phenyl]pyrrole-2-carbaldehyde
CID 170875375
[3-(5-methyltetrazol-1-yl)phenyl]methanamine
CID 82504564

Frequently Asked Questions

What is the IUPAC name of [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine?
The IUPAC name of [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine (CID 139933677) is [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine is NCc1cccc(N2C=CCO2)c1.
What is the InChIKey of [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine?
The InChIKey is YYTBSTYSAHDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-9-3-1-4-10(7-9)12-5-2-6-13-12/h1-5,7H,6,8,11H2.
What are the key properties of [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine?
[3-(5H-1,2-oxazol-2-yl)phenyl]methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5H-1,2-oxazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 139933677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).