2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole

C20H15NO2 — CID 154096140

IUPAC2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
SMILESc1ccc(OCc2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C20H15NO2/c1-3-7-15(8-4-1)16-11-12-19-18(13-16)21-20(23-19)14-22-17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyQMGVVNAWYGLFEM-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.07
Rot. Bonds4

About 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole

2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole (PubChem CID 154096140) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
PubChem CID154096140
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
SMILESc1ccc(OCc2nc3cc(-c4ccccc4)ccc3o2)cc1
InChIInChI=1S/C20H15NO2/c1-3-7-15(8-4-1)16-11-12-19-18(13-16)21-20(23-19)14-22-17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyQMGVVNAWYGLFEM-UHFFFAOYSA-N
XLogP5.07
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
CID 4963555
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
CID 47118122
2-[(4-chlorophenoxy)methyl]-5-methyl-1,3-benzoxazole
CID 10445998
2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
[2-(2-phenoxyethyl)-1,3-benzoxazol-5-yl]methanamine
CID 82357676

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole (CID 154096140) is 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole is c1ccc(OCc2nc3cc(-c4ccccc4)ccc3o2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole?
The InChIKey is QMGVVNAWYGLFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-3-7-15(8-4-1)16-11-12-19-18(13-16)21-20(23-19)14-22-17-9-5-2-6-10-17/h1-13H,14H2.
What are the key properties of 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole?
2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole has a molecular weight of 301.35 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 154096140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).