4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole

C20H17NO — CID 75240986

IUPAC4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(c3ccc4ccccc4c3)=N2)cc1
InChIInChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-22-20(21-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2
InChIKeyVHUTXZCZWOFQLS-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.23
Rot. Bonds3

About 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole

4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 75240986) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID75240986
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(CC2COC(c3ccc4ccccc4c3)=N2)cc1
InChIInChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-22-20(21-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2
InChIKeyVHUTXZCZWOFQLS-UHFFFAOYSA-N
XLogP4.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole (CID 75240986) is 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole is c1ccc(CC2COC(c3ccc4ccccc4c3)=N2)cc1.
What is the InChIKey of 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is VHUTXZCZWOFQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-22-20(21-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2.
What are the key properties of 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole?
4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 287.36 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-naphthalen-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 75240986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).