(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole

C21H19NO2 — CID 146025893

IUPAC(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole
SMILESCOc1ccc2cc([C@]3(C)COC(c4ccccc4)=N3)ccc2c1
InChIInChI=1S/C21H19NO2/c1-21(14-24-20(22-21)15-6-4-3-5-7-15)18-10-8-17-13-19(23-2)11-9-16(17)12-18/h3-13H,14H2,1-2H3/t21-/m0/s1
InChIKeySNPMEYWDBKWJJI-NRFANRHFSA-N
MW317.39 g/mol
LogP4.54
Rot. Bonds3

About (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole

(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole (PubChem CID 146025893) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole
PubChem CID146025893
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole
SMILESCOc1ccc2cc([C@]3(C)COC(c4ccccc4)=N3)ccc2c1
InChIInChI=1S/C21H19NO2/c1-21(14-24-20(22-21)15-6-4-3-5-7-15)18-10-8-17-13-19(23-2)11-9-16(17)12-18/h3-13H,14H2,1-2H3/t21-/m0/s1
InChIKeySNPMEYWDBKWJJI-NRFANRHFSA-N
XLogP4.54
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-Benzyl-3-(6-methoxynaphthalen-2-yl)-N-methylbut-2-en-1-amine
CID 46231024
8-methoxy-5-(4-methoxy-1-naphthyl)-3,3-dimethyl-4H-isoquinoline
CID 49845217
8-Methoxy-5-(4-methoxy-1-naphthyl)-3,4-dihydroisoquinoline
CID 49845218
(3R)-8-methoxy-1,3-dimethyl-5-(2-naphthyl)-3,4-dihydroisoquinoline
CID 49845881
1-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-naphthyl methyl ether
CID 370780
1,3-bis(4-methylphenyl)-1H-benzo[f][1,3]benzoxazine
CID 70689132
3-(4-methoxyphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine
CID 70689133
1-(4-methylphenyl)-3-phenyl-1H-benzo[f][1,3]benzoxazine
CID 70689134
1,3-diphenyl-1H-benzo[f][1,3]benzoxazine
CID 70691218
3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-benzo[f][1,3]benzoxazine
CID 70691220
3-(4-methylphenyl)-1-phenyl-1H-benzo[f][1,3]benzoxazine
CID 70693336
3-(4-methoxyphenyl)-1-(4-methylphenyl)-1H-benzo[f][1,3]benzoxazine
CID 70695440

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole?
The IUPAC name of (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole (CID 146025893) is (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole.
What is the SMILES notation for (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole?
The canonical SMILES for (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole is COc1ccc2cc([C@]3(C)COC(c4ccccc4)=N3)ccc2c1.
What is the InChIKey of (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole?
The InChIKey is SNPMEYWDBKWJJI-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19NO2/c1-21(14-24-20(22-21)15-6-4-3-5-7-15)18-10-8-17-13-19(23-2)11-9-16(17)12-18/h3-13H,14H2,1-2H3/t21-/m0/s1.
What are the key properties of (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole?
(4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole has a molecular weight of 317.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2-phenyl-5H-1,3-oxazole is sourced from PubChem (CID 146025893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).