[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol

C21H17NO3 — CID 131866931

IUPAC[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2onc(-c3cccc4ccccc34)c2CO)c1
InChIInChI=1S/C21H17NO3/c1-24-16-9-4-8-15(12-16)21-19(13-23)20(22-25-21)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,23H,13H2,1H3
InChIKeyLTTIVZHJDMYQQV-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.66
Rot. Bonds4

About [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol

[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol (PubChem CID 131866931) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
PubChem CID131866931
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol
SMILESCOc1cccc(-c2onc(-c3cccc4ccccc34)c2CO)c1
InChIInChI=1S/C21H17NO3/c1-24-16-9-4-8-15(12-16)21-19(13-23)20(22-25-21)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,23H,13H2,1H3
InChIKeyLTTIVZHJDMYQQV-UHFFFAOYSA-N
XLogP4.66
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867227
[5-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868155
[5-(4-chlorophenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868442
[5-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867293
[3-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131868194
[3-naphthalen-1-yl-5-(2,3,4-trifluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868285
[5-(3,5-difluorophenyl)-3-(2-methoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868139
[3-(2,5-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-4-yl]methanol
CID 131867845
[5-(3,5-dimethylphenyl)-3-(3-phenoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868258
[5-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868588
[5-(4-bromophenyl)-3-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131867975
[3-(2,5-dimethoxyphenyl)-5-(4-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 131868265

Frequently Asked Questions

What is the IUPAC name of [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol (CID 131866931) is [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol is COc1cccc(-c2onc(-c3cccc4ccccc34)c2CO)c1.
What is the InChIKey of [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol?
The InChIKey is LTTIVZHJDMYQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-16-9-4-8-15(12-16)21-19(13-23)20(22-25-21)18-11-5-7-14-6-2-3-10-17(14)18/h2-12,23H,13H2,1H3.
What are the key properties of [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol?
[5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol has a molecular weight of 331.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methoxyphenyl)-3-naphthalen-1-yl-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 131866931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).