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

C19H17N3O — CID 56755977

IUPAC5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
SMILESCc1oc(-c2ccc3ccccc3c2)nc1Cn1ccnc1C
InChIInChI=1S/C19H17N3O/c1-13-18(12-22-10-9-20-14(22)2)21-19(23-13)17-8-7-15-5-3-4-6-16(15)11-17/h3-11H,12H2,1-2H3
InChIKeyQOMCDYSHNLVWDK-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.36
Rot. Bonds3

About 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole

5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole (PubChem CID 56755977) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
PubChem CID56755977
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole
SMILESCc1oc(-c2ccc3ccccc3c2)nc1Cn1ccnc1C
InChIInChI=1S/C19H17N3O/c1-13-18(12-22-10-9-20-14(22)2)21-19(23-13)17-8-7-15-5-3-4-6-16(15)11-17/h3-11H,12H2,1-2H3
InChIKeyQOMCDYSHNLVWDK-UHFFFAOYSA-N
XLogP4.36
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 71981264
4-[(2-ethylimidazol-1-yl)methyl]-5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 56752749
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56757332
3-methyl-1-[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]butan-1-ol
CID 45242244
[1-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 42567137
3-[1-[[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-2-yl]-1-methylpyridin-2-one
CID 155498446
2-(2-chlorophenyl)-5-methyl-4-[(2-pyridin-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738899
N-methyl-2-(2-methylimidazol-1-yl)-N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
CID 56714212
N-methyl-N-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]oxolan-3-amine
CID 45178099
1-benzyl-2-methylimidazole
CID 158634472
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56754344

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole (CID 56755977) is 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole is Cc1oc(-c2ccc3ccccc3c2)nc1Cn1ccnc1C.
What is the InChIKey of 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
The InChIKey is QOMCDYSHNLVWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-18(12-22-10-9-20-14(22)2)21-19(23-13)17-8-7-15-5-3-4-6-16(15)11-17/h3-11H,12H2,1-2H3.
What are the key properties of 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole?
5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole has a molecular weight of 303.37 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methylimidazol-1-yl)methyl]-2-naphthalen-2-yl-1,3-oxazole is sourced from PubChem (CID 56755977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).