3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one

C16H15NO3 — CID 2989877

IUPAC3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCCOc1ccc(Cn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C16H15NO3/c1-2-19-13-9-7-12(8-10-13)11-17-14-5-3-4-6-15(14)20-16(17)18/h3-10H,2,11H2,1H3
InChIKeyIELSAMNEQDZXGT-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.04
Rot. Bonds4

About 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one

3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one (PubChem CID 2989877) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one
PubChem CID2989877
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one
SMILESCCOc1ccc(Cn2c(=O)oc3ccccc32)cc1
InChIInChI=1S/C16H15NO3/c1-2-19-13-9-7-12(8-10-13)11-17-14-5-3-4-6-15(14)20-16(17)18/h3-10H,2,11H2,1H3
InChIKeyIELSAMNEQDZXGT-UHFFFAOYSA-N
XLogP3.04
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one (CID 2989877) is 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one is CCOc1ccc(Cn2c(=O)oc3ccccc32)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is IELSAMNEQDZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-2-19-13-9-7-12(8-10-13)11-17-14-5-3-4-6-15(14)20-16(17)18/h3-10H,2,11H2,1H3.
What are the key properties of 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one?
3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 269.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 2989877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).