[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol

C22H21NO2 — CID 134114249

IUPAC[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol
SMILESCC1(C)COC(c2ccc(C(O)c3ccc4ccccc4c3)cc2)=N1
InChIInChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)17-10-8-16(9-11-17)20(24)19-12-7-15-5-3-4-6-18(15)13-19/h3-13,20,24H,14H2,1-2H3
InChIKeyLHOBCWOMOIZNRX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.48
Rot. Bonds3

About [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol

[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol (PubChem CID 134114249) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol.

Molecular Properties

Compound Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol
PubChem CID134114249
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol
SMILESCC1(C)COC(c2ccc(C(O)c3ccc4ccccc4c3)cc2)=N1
InChIInChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)17-10-8-16(9-11-17)20(24)19-12-7-15-5-3-4-6-18(15)13-19/h3-13,20,24H,14H2,1-2H3
InChIKeyLHOBCWOMOIZNRX-UHFFFAOYSA-N
XLogP4.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

anthracen-2-yl(phenyl)methanol
CID 15685338
3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenol
CID 12867078
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridazin-3-yl]-phenylmethanol
CID 10401565
2-[3-[3-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-5-(4-phenylphenyl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[3-[6-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole;2-[4-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
CID 159653290
2-(3,4-dimethylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 12872558
tert-butyl-[6-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]naphthalen-2-yl]oxy-dimethylsilane
CID 21477518
(4-bromo-3,5-dimethylphenyl)-naphthalen-2-ylmethanol
CID 114329794
4,4-dimethyl-2-[4-(1,3,5-triazin-2-yl)phenyl]-5H-1,3-oxazole
CID 175216968
(3-chloro-4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 61099330
naphthalen-2-ylmethanediol
CID 22496827
1-naphthalen-2-ylethylphosphonous acid
CID 145437029
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol?
The IUPAC name of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol (CID 134114249) is [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol.
What is the SMILES notation for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol?
The canonical SMILES for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol is CC1(C)COC(c2ccc(C(O)c3ccc4ccccc4c3)cc2)=N1.
What is the InChIKey of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol?
The InChIKey is LHOBCWOMOIZNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-22(2)14-25-21(23-22)17-10-8-16(9-11-17)20(24)19-12-7-15-5-3-4-6-18(15)13-19/h3-13,20,24H,14H2,1-2H3.
What are the key properties of [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol?
[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol has a molecular weight of 331.42 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-naphthalen-2-ylmethanol is sourced from PubChem (CID 134114249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).