2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole

C20H15NO2 — CID 4963555

IUPAC2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(OCc3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H15NO2/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)22-14-20-21-18-8-4-5-9-19(18)23-20/h1-13H,14H2
InChIKeyWJRALIWSBBWDDM-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.07
Rot. Bonds4

About 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole

2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole (PubChem CID 4963555) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
PubChem CID4963555
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(OCc3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C20H15NO2/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)22-14-20-21-18-8-4-5-9-19(18)23-20/h1-13H,14H2
InChIKeyWJRALIWSBBWDDM-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-(phenoxymethyl)-5-phenyl-1,3-benzoxazole
CID 154096140
4-(1,3-benzoxazol-2-ylmethoxy)aniline
CID 54908622
2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,3-benzoxazole
CID 139801783
3-(1,3-benzoxazol-2-ylmethoxy)benzonitrile
CID 47118122
4-(1,3-benzoxazol-2-ylmethoxy)-2-methylbenzoic acid
CID 107671276
5-[[4-(1,3-benzoxazol-2-yl)phenoxy]methyl]-3H-1,3,4-oxadiazole-2-thione
CID 3033780
2-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]acetic acid
CID 61398083
2-(1,3-benzoxazol-2-ylmethoxy)benzoic acid
CID 43214774
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
CID 82357792
1-[4-(1,3-benzoxazol-2-ylmethoxy)phenyl]-3-(3,4-dichlorophenyl)urea
CID 134466042
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
1-[3-(1,3-benzoxazol-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 106486021

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole?
The IUPAC name of 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole (CID 4963555) is 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole is c1ccc(-c2ccc(OCc3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole?
The InChIKey is WJRALIWSBBWDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)22-14-20-21-18-8-4-5-9-19(18)23-20/h1-13H,14H2.
What are the key properties of 2-[(4-phenylphenoxy)methyl]-1,3-benzoxazole?
2-[(4-phenylphenoxy)methyl]-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-[(4-phenylphenoxy)methyl]-1,3-benzoxazole is sourced from PubChem (CID 4963555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).