[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine

C17H16N2O2 — CID 106485084

IUPAC[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N2O2/c18-10-13-5-4-8-16(9-13)20-11-15-12-21-17(19-15)14-6-2-1-3-7-14/h1-9,12H,10-11,18H2
InChIKeyODDUROFSJAZBSL-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.38
Rot. Bonds5

About [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine

[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 106485084) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
PubChem CID106485084
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
SMILESNCc1cccc(OCc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N2O2/c18-10-13-5-4-8-16(9-13)20-11-15-12-21-17(19-15)14-6-2-1-3-7-14/h1-9,12H,10-11,18H2
InChIKeyODDUROFSJAZBSL-UHFFFAOYSA-N
XLogP3.38
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(chloromethyl)-2-(3-phenylmethoxyphenyl)-1,3-oxazole
CID 22009622
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
4-[2-[3-(bromomethyl)phenoxy]ethyl]-2-phenyl-1,3-oxazole
CID 18617241
[3-(2-phenyl-1,3-oxazol-4-yl)phenyl]methanamine
CID 115046706
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methoxy]aniline
CID 61035750
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
2-(4-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030076
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319

Frequently Asked Questions

What is the IUPAC name of [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine (CID 106485084) is [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine is NCc1cccc(OCc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is ODDUROFSJAZBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c18-10-13-5-4-8-16(9-13)20-11-15-12-21-17(19-15)14-6-2-1-3-7-14/h1-9,12H,10-11,18H2.
What are the key properties of [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine?
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 280.33 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 106485084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).