2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole

C23H25NO — CID 134999013

IUPAC2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC([C@]2(C)c3ccccc3C=C[C@@H]2Cc2ccccc2)=N1
InChIInChI=1S/C23H25NO/c1-22(2)16-25-21(24-22)23(3)19(15-17-9-5-4-6-10-17)14-13-18-11-7-8-12-20(18)23/h4-14,19H,15-16H2,1-3H3/t19-,23+/m1/s1
InChIKeyYEMQJOSJYQJXGF-XXBNENTESA-N
MW331.46 g/mol
LogP5.04
Rot. Bonds3

About 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 134999013) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID134999013
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC([C@]2(C)c3ccccc3C=C[C@@H]2Cc2ccccc2)=N1
InChIInChI=1S/C23H25NO/c1-22(2)16-25-21(24-22)23(3)19(15-17-9-5-4-6-10-17)14-13-18-11-7-8-12-20(18)23/h4-14,19H,15-16H2,1-3H3/t19-,23+/m1/s1
InChIKeyYEMQJOSJYQJXGF-XXBNENTESA-N
XLogP5.04
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Dimethyl (tetrahydro-3,3-diphenyl-2-furylidene) ammonium
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4,4-dimethyl-2-(2-phenylpropan-2-yl)-5H-1,3-oxazole
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1-[(9R,10R)-10-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-10-prop-2-enyl-9H-phenanthren-9-yl]ethanone
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2-[2-[2-(4-fluorophenyl)-2-phenylethyl]-3-methyl-1H-naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 134999013) is 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC([C@]2(C)c3ccccc3C=C[C@@H]2Cc2ccccc2)=N1.
What is the InChIKey of 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is YEMQJOSJYQJXGF-XXBNENTESA-N. The full InChI is InChI=1S/C23H25NO/c1-22(2)16-25-21(24-22)23(3)19(15-17-9-5-4-6-10-17)14-13-18-11-7-8-12-20(18)23/h4-14,19H,15-16H2,1-3H3/t19-,23+/m1/s1.
What are the key properties of 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 331.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-benzyl-1-methyl-2H-naphthalen-1-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 134999013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).