2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole

C16H15NO3 — CID 3159469

IUPAC2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)cc1OC
InChIInChI=1S/C16H15NO3/c1-10-4-6-13-12(8-10)17-16(20-13)11-5-7-14(18-2)15(9-11)19-3/h4-9H,1-3H3
InChIKeyDTKPVIWYVFLICC-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.82
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole

2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole (PubChem CID 3159469) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
PubChem CID3159469
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
SMILESCOc1ccc(-c2nc3cc(C)ccc3o2)cc1OC
InChIInChI=1S/C16H15NO3/c1-10-4-6-13-12(8-10)17-16(20-13)11-5-7-14(18-2)15(9-11)19-3/h4-9H,1-3H3
InChIKeyDTKPVIWYVFLICC-UHFFFAOYSA-N
XLogP3.82
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
2-(2,5-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 91684024
2-(3,5-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089200
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]guanidine
CID 168603578
2-chloro-N'-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]ethanimidamide
CID 169367271
2-[[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]propanedinitrile
CID 168543199
2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 735973

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole (CID 3159469) is 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole is COc1ccc(-c2nc3cc(C)ccc3o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
The InChIKey is DTKPVIWYVFLICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-4-6-13-12(8-10)17-16(20-13)11-5-7-14(18-2)15(9-11)19-3/h4-9H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole?
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole has a molecular weight of 269.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 3159469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).