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

C15H13NO2 — CID 91419468

IUPAC3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
SMILESCOc1ccc(Cc2noc3ccccc23)cc1
InChIInChI=1S/C15H13NO2/c1-17-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)18-16-14/h2-9H,10H2,1H3
InChIKeyVYEBENUHCOMXJZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.43
Rot. Bonds3

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

3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole (PubChem CID 91419468) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
PubChem CID91419468
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
SMILESCOc1ccc(Cc2noc3ccccc23)cc1
InChIInChI=1S/C15H13NO2/c1-17-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)18-16-14/h2-9H,10H2,1H3
InChIKeyVYEBENUHCOMXJZ-UHFFFAOYSA-N
XLogP3.43
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 90624501
2-(1,2-benzoxazol-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 51095203
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
2-(1,2-benzoxazol-3-yl)-1-[(2R)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]ethanone
CID 95401407
2-(1,2-benzoxazol-3-yl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 46461744
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
2-(1,2-benzoxazol-3-yl)-1-methoxyethanol
CID 152805743
1-[(4-methoxyphenyl)methyl]-4-phenylphthalazine
CID 66731672
3-(bromomethyl)-1,2-benzoxazole
CID 3499189
2-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 9255690
1-(1,2-benzoxazol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 90624426

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole (CID 91419468) is 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole is COc1ccc(Cc2noc3ccccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole?
The InChIKey is VYEBENUHCOMXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-17-12-8-6-11(7-9-12)10-14-13-4-2-3-5-15(13)18-16-14/h2-9H,10H2,1H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole?
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole has a molecular weight of 239.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole is sourced from PubChem (CID 91419468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).