2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole

C22H19NO3 — CID 23025912

IUPAC2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole
SMILESCOCCOc1cccc(-c2nc3ccc(-c4ccccc4)cc3o2)c1
InChIInChI=1S/C22H19NO3/c1-24-12-13-25-19-9-5-8-18(14-19)22-23-20-11-10-17(15-21(20)26-22)16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3
InChIKeyWPOPWJDJQRFGIC-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.19
Rot. Bonds6

About 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole

2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole (PubChem CID 23025912) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole
PubChem CID23025912
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole
SMILESCOCCOc1cccc(-c2nc3ccc(-c4ccccc4)cc3o2)c1
InChIInChI=1S/C22H19NO3/c1-24-12-13-25-19-9-5-8-18(14-19)22-23-20-11-10-17(15-21(20)26-22)16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3
InChIKeyWPOPWJDJQRFGIC-UHFFFAOYSA-N
XLogP5.19
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-ethoxyphenyl)-6-(furan-2-yl)-1,3-benzoxazole
CID 23026024
2-(2-methoxyethoxy)-6-phenylnaphthalene
CID 139902348
2-[3-(1,3-benzoxazol-2-yl)phenoxy]acetic acid
CID 67428033
6-bromo-2-(3-ethoxyphenyl)-1,3-benzoxazole
CID 23025986
3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
CID 117098273
1-chloro-4-[3-(2-methoxyethoxy)phenyl]benzene
CID 91316664
6-[4-(4-bromophenyl)phenyl]-2-phenyl-1,3-benzoxazole
CID 170716750
6-(2-fluorophenyl)-2-(3-phenoxyphenyl)-1,3-benzoxazole
CID 23026117
2-phenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3-benzoxazole
CID 153310091
(2S)-3-[4-[2-[3-(1,3-benzoxazol-2-yl)phenoxy]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 142699942
6-phenyl-2-[4-[(E)-2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 23146226
6-phenyl-2-[4-[2-[4-(6-phenyl-1,3-benzoxazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzoxazole
CID 68836717

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole?
The IUPAC name of 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole (CID 23025912) is 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole is COCCOc1cccc(-c2nc3ccc(-c4ccccc4)cc3o2)c1.
What is the InChIKey of 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole?
The InChIKey is WPOPWJDJQRFGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-24-12-13-25-19-9-5-8-18(14-19)22-23-20-11-10-17(15-21(20)26-22)16-6-3-2-4-7-16/h2-11,14-15H,12-13H2,1H3.
What are the key properties of 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole?
2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole has a molecular weight of 345.40 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)phenyl]-6-phenyl-1,3-benzoxazole is sourced from PubChem (CID 23025912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).