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

C20H15NO2 — CID 100927052

IUPAC4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1Cc1cccc2ccccc12
InChIInChI=1S/C20H15NO2/c22-20-18(21-19(23-20)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,18H,13H2
InChIKeyYWABZYSGCDQXOF-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.75
Rot. Bonds3

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

4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one (PubChem CID 100927052) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
PubChem CID100927052
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one
SMILESO=C1OC(c2ccccc2)=NC1Cc1cccc2ccccc12
InChIInChI=1S/C20H15NO2/c22-20-18(21-19(23-20)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,18H,13H2
InChIKeyYWABZYSGCDQXOF-UHFFFAOYSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The IUPAC name of 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one (CID 100927052) is 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one is O=C1OC(c2ccccc2)=NC1Cc1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
The InChIKey is YWABZYSGCDQXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c22-20-18(21-19(23-20)15-8-2-1-3-9-15)13-16-11-6-10-14-7-4-5-12-17(14)16/h1-12,18H,13H2.
What are the key properties of 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one?
4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one has a molecular weight of 301.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)-2-phenyl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 100927052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).