3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one

C19H15NO3 — CID 1082639

IUPAC3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C19H15NO3/c21-19-20(16-9-3-4-10-18(16)23-19)12-13-22-17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2
InChIKeySSBUVRGFNCPFJC-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.83
Rot. Bonds4

About 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one

3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one (PubChem CID 1082639) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one
PubChem CID1082639
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCOc1cccc2ccccc12
InChIInChI=1S/C19H15NO3/c21-19-20(16-9-3-4-10-18(16)23-19)12-13-22-17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2
InChIKeySSBUVRGFNCPFJC-UHFFFAOYSA-N
XLogP3.83
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one (CID 1082639) is 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCOc1cccc2ccccc12.
What is the InChIKey of 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one?
The InChIKey is SSBUVRGFNCPFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19-20(16-9-3-4-10-18(16)23-19)12-13-22-17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2.
What are the key properties of 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one?
3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one has a molecular weight of 305.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-naphthalen-1-yloxyethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 1082639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).