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

C20H17NO — CID 25010932

IUPAC(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(c3cccc4ccccc34)=N2)cc1
InChIInChI=1S/C20H17NO/c1-2-7-15(8-3-1)13-17-14-22-20(21-17)19-12-6-10-16-9-4-5-11-18(16)19/h1-12,17H,13-14H2/t17-/m1/s1
InChIKeyIQYXJGXDRORIRN-QGZVFWFLSA-N
MW287.36 g/mol
LogP4.23
Rot. Bonds3

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

(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole (PubChem CID 25010932) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
PubChem CID25010932
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C[C@@H]2COC(c3cccc4ccccc34)=N2)cc1
InChIInChI=1S/C20H17NO/c1-2-7-15(8-3-1)13-17-14-22-20(21-17)19-12-6-10-16-9-4-5-11-18(16)19/h1-12,17H,13-14H2/t17-/m1/s1
InChIKeyIQYXJGXDRORIRN-QGZVFWFLSA-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 (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole (CID 25010932) is (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole is c1ccc(C[C@@H]2COC(c3cccc4ccccc34)=N2)cc1.
What is the InChIKey of (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is IQYXJGXDRORIRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17NO/c1-2-7-15(8-3-1)13-17-14-22-20(21-17)19-12-6-10-16-9-4-5-11-18(16)19/h1-12,17H,13-14H2/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole?
(4R)-4-benzyl-2-naphthalen-1-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 (4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 25010932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).