2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

C23H17N3O — CID 56665274

IUPAC2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2cn(Cc3coc(-c4cccc5ccccc45)n3)cn2)cc1
InChIInChI=1S/C23H17N3O/c1-2-8-18(9-3-1)22-14-26(16-24-22)13-19-15-27-23(25-19)21-12-6-10-17-7-4-5-11-20(17)21/h1-12,14-16H,13H2
InChIKeyZXSRVJWNEZAELJ-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.41
Rot. Bonds4

About 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole

2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56665274) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56665274
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESc1ccc(-c2cn(Cc3coc(-c4cccc5ccccc45)n3)cn2)cc1
InChIInChI=1S/C23H17N3O/c1-2-8-18(9-3-1)22-14-26(16-24-22)13-19-15-27-23(25-19)21-12-6-10-17-7-4-5-11-20(17)21/h1-12,14-16H,13H2
InChIKeyZXSRVJWNEZAELJ-UHFFFAOYSA-N
XLogP5.41
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56665003
3,5-dichloro-1-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]pyridin-4-one
CID 56658463
2-naphthalen-1-yl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56682911
N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
CID 56666027
1-[(4-chlorophenyl)methyl]-4-phenylimidazole
CID 18755603
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
CID 141132122
1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56672478
N-[[2-(2-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-ethylnaphthalen-1-amine
CID 56658337
2-[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461356
4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (CID 56665274) is 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is c1ccc(-c2cn(Cc3coc(-c4cccc5ccccc45)n3)cn2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is ZXSRVJWNEZAELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-2-8-18(9-3-1)22-14-26(16-24-22)13-19-15-27-23(25-19)21-12-6-10-17-7-4-5-11-20(17)21/h1-12,14-16H,13H2.
What are the key properties of 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 351.41 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56665274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).