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

C20H15NO2 — CID 10266862

IUPAC4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H15NO2/c22-20-18(19(21-23-20)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,21H,13H2
InChIKeyWDNDNGQTYOHRFE-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.38
Rot. Bonds3

About 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one

4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 10266862) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID10266862
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(-c2ccccc2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C20H15NO2/c22-20-18(19(21-23-20)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,21H,13H2
InChIKeyWDNDNGQTYOHRFE-UHFFFAOYSA-N
XLogP4.38
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one (CID 10266862) is 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one is O=c1o[nH]c(-c2ccccc2)c1Cc1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is WDNDNGQTYOHRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20-18(19(21-23-20)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-12,21H,13H2.
What are the key properties of 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one?
4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 301.35 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 10266862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).