1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate

C17H15NO4 — CID 25498133

IUPAC1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15NO4/c1-20-13-8-6-12(7-9-13)10-17(19)21-11-16-18-14-4-2-3-5-15(14)22-16/h2-9H,10-11H2,1H3
InChIKeyAOPOUXQLAYQIFQ-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.12
Rot. Bonds5

About 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate

1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate (PubChem CID 25498133) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
PubChem CID25498133
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2nc3ccccc3o2)cc1
InChIInChI=1S/C17H15NO4/c1-20-13-8-6-12(7-9-13)10-17(19)21-11-16-18-14-4-2-3-5-15(14)22-16/h2-9H,10-11H2,1H3
InChIKeyAOPOUXQLAYQIFQ-UHFFFAOYSA-N
XLogP3.12
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
CID 40735475
1,3-benzoxazol-2-ylmethyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate
CID 9458118
(2-methoxyphenyl)methyl 2-(4-methoxyphenyl)acetate
CID 78760060
(4-methylquinazolin-2-yl)methyl 2-(4-methoxyphenyl)acetate
CID 32670302
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110711828
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
1,3-benzoxazol-2-ylmethyl 2-benzamidoacetate
CID 40734432
1,3-benzoxazol-2-ylmethyl 3,5-dimethylbenzoate
CID 9449734
1,3-benzoxazol-2-ylmethyl 3-hydroxynaphthalene-2-carboxylate
CID 40734632
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-methoxyphenyl)acetate
CID 16624713
1,3-benzoxazol-2-ylmethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 40763818
1,3-benzoxazol-2-ylmethyl 4-(dimethylamino)benzoate
CID 9325069

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate?
The IUPAC name of 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate (CID 25498133) is 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2nc3ccccc3o2)cc1.
What is the InChIKey of 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate?
The InChIKey is AOPOUXQLAYQIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-13-8-6-12(7-9-13)10-17(19)21-11-16-18-14-4-2-3-5-15(14)22-16/h2-9H,10-11H2,1H3.
What are the key properties of 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate?
1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate has a molecular weight of 297.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-2-ylmethyl 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 25498133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).