3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

C17H17NO3 — CID 851212

IUPAC3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21
InChIInChI=1S/C17H17NO3/c1-3-20-15-7-5-4-6-13(15)11-18-14-10-12(2)8-9-16(14)21-17(18)19/h4-10H,3,11H2,1-2H3
InChIKeyVASHQEUCSDUGFP-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.35
Rot. Bonds4

About 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one

3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (PubChem CID 851212) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
PubChem CID851212
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one
SMILESCCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21
InChIInChI=1S/C17H17NO3/c1-3-20-15-7-5-4-6-13(15)11-18-14-10-12(2)8-9-16(14)21-17(18)19/h4-10H,3,11H2,1-2H3
InChIKeyVASHQEUCSDUGFP-UHFFFAOYSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one (CID 851212) is 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is CCOc1ccccc1Cn1c(=O)oc2ccc(C)cc21.
What is the InChIKey of 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
The InChIKey is VASHQEUCSDUGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-20-15-7-5-4-6-13(15)11-18-14-10-12(2)8-9-16(14)21-17(18)19/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one?
3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one has a molecular weight of 283.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyphenyl)methyl]-5-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 851212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).