4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole

C22H19NO4 — CID 102167898

IUPAC4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole
SMILESCOc1ccc(COc2cccc3oc(-c4ccccc4)nc23)c(OC)c1
InChIInChI=1S/C22H19NO4/c1-24-17-12-11-16(20(13-17)25-2)14-26-18-9-6-10-19-21(18)23-22(27-19)15-7-4-3-5-8-15/h3-13H,14H2,1-2H3
InChIKeyBTJPPNGVKKIKPA-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.09
Rot. Bonds6

About 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole

4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole (PubChem CID 102167898) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole
PubChem CID102167898
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole
SMILESCOc1ccc(COc2cccc3oc(-c4ccccc4)nc23)c(OC)c1
InChIInChI=1S/C22H19NO4/c1-24-17-12-11-16(20(13-17)25-2)14-26-18-9-6-10-19-21(18)23-22(27-19)15-7-4-3-5-8-15/h3-13H,14H2,1-2H3
InChIKeyBTJPPNGVKKIKPA-UHFFFAOYSA-N
XLogP5.09
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
2,4-dimethoxy-1-[3-[2-[(4-methoxyphenyl)methoxy]-4-phenylmethoxyphenyl]propyl]benzene
CID 139826525
2-bromo-5-(4-methoxy-1,3-benzoxazol-2-yl)aniline
CID 107813887
4-methoxy-N-[2-(4-phenylmethoxyphenyl)-1,3-benzoxazol-4-yl]benzenesulfonamide
CID 10206426
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2,4-dimethoxybenzoate
CID 16588780
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
CID 163632646
8-[(2-bromo-5-methoxyphenyl)methoxy]quinoline
CID 25270942
2-(4-fluoro-3-methoxyphenyl)-1,3-benzoxazol-4-amine
CID 81284777
2-ethoxy-3-[2-methoxy-4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
CID 22273882
5-iodo-6-methoxy-2-phenyl-1,3-benzoxazole
CID 135041738
1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708945

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole (CID 102167898) is 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole is COc1ccc(COc2cccc3oc(-c4ccccc4)nc23)c(OC)c1.
What is the InChIKey of 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole?
The InChIKey is BTJPPNGVKKIKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-24-17-12-11-16(20(13-17)25-2)14-26-18-9-6-10-19-21(18)23-22(27-19)15-7-4-3-5-8-15/h3-13H,14H2,1-2H3.
What are the key properties of 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole?
4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole has a molecular weight of 361.40 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethoxyphenyl)methoxy]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 102167898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).