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

C20H17NO3 — CID 3153322

IUPAC3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c22-20-21(18-8-3-4-9-19(18)24-20)12-5-13-23-17-11-10-15-6-1-2-7-16(15)14-17/h1-4,6-11,14H,5,12-13H2
InChIKeyCATHWACZRMCQFE-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.22
Rot. Bonds5

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

3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one (PubChem CID 3153322) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one
PubChem CID3153322
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1CCCOc1ccc2ccccc2c1
InChIInChI=1S/C20H17NO3/c22-20-21(18-8-3-4-9-19(18)24-20)12-5-13-23-17-11-10-15-6-1-2-7-16(15)14-17/h1-4,6-11,14H,5,12-13H2
InChIKeyCATHWACZRMCQFE-UHFFFAOYSA-N
XLogP4.22
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one (CID 3153322) is 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1CCCOc1ccc2ccccc2c1.
What is the InChIKey of 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one?
The InChIKey is CATHWACZRMCQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-20-21(18-8-3-4-9-19(18)24-20)12-5-13-23-17-11-10-15-6-1-2-7-16(15)14-17/h1-4,6-11,14H,5,12-13H2.
What are the key properties of 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one?
3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one has a molecular weight of 319.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-2-yloxypropyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 3153322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).