3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one

C14H11NO2 — CID 123170185

IUPAC3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(Cc2ccc3ccccc3c2)[nH]o1
InChIInChI=1S/C14H11NO2/c16-14-9-13(15-17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,15H,8H2
InChIKeyRCGCVHQWWOZHLP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.71
Rot. Bonds2

About 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one

3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one (PubChem CID 123170185) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one
PubChem CID123170185
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(Cc2ccc3ccccc3c2)[nH]o1
InChIInChI=1S/C14H11NO2/c16-14-9-13(15-17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,15H,8H2
InChIKeyRCGCVHQWWOZHLP-UHFFFAOYSA-N
XLogP2.71
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one (CID 123170185) is 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one is O=c1cc(Cc2ccc3ccccc3c2)[nH]o1.
What is the InChIKey of 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one?
The InChIKey is RCGCVHQWWOZHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14-9-13(15-17-14)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,15H,8H2.
What are the key properties of 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one?
3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 123170185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).