4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol

C19H19NO3 — CID 854607

IUPAC4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
SMILESCCc1cc(-c2onc(C)c2-c2ccccc2)c(O)cc1OC
InChIInChI=1S/C19H19NO3/c1-4-13-10-15(16(21)11-17(13)22-3)19-18(12(2)20-23-19)14-8-6-5-7-9-14/h5-11,21H,4H2,1-3H3
InChIKeyGEHDMJSLHWEEGE-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.59
Rot. Bonds4

About 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol

4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol (PubChem CID 854607) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
PubChem CID854607
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol
SMILESCCc1cc(-c2onc(C)c2-c2ccccc2)c(O)cc1OC
InChIInChI=1S/C19H19NO3/c1-4-13-10-15(16(21)11-17(13)22-3)19-18(12(2)20-23-19)14-8-6-5-7-9-14/h5-11,21H,4H2,1-3H3
InChIKeyGEHDMJSLHWEEGE-UHFFFAOYSA-N
XLogP4.59
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Mofezolac
CID 4237
5-(3-{3-[3-Hydroxy-2-(methoxycarbonyl)phenoxy]propenyl}phenyl)-4-(hydroxymethyl)isoxazole-3-carboxylic acid
CID 449162
4-(6-Hydroxy-benzo[D]isoxazol-3-YL)benzene-1,3-diol
CID 5287464
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
2-[(1S)-5-{3-[(3-methyl-7-propyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 9910188
2-[(1S)-5-{3-[(3,7-dimethyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776381
2-[(1S)-5-{3-[(3-methyl-1,2-benzoxazol-6-yl)oxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 24776382
Oxfbd03
CID 71624782
3-(2-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135474202
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-6-ol
CID 135526958
5-(2-Fluoro-5-{(1E)-3-[3-hydroxy-2-(methoxycarbonyl)phenoxy]-1-propen-1-yl}phenyl)-1,2-oxazole-3-carboxylic acid
CID 447994
(3-{4-[(3-Phenyl-7-propyl-1,2-benzisoxazol-6-yl)oxy]butoxy}phenyl)acetic acid
CID 11753952

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol?
The IUPAC name of 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol (CID 854607) is 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol is CCc1cc(-c2onc(C)c2-c2ccccc2)c(O)cc1OC.
What is the InChIKey of 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol?
The InChIKey is GEHDMJSLHWEEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-13-10-15(16(21)11-17(13)22-3)19-18(12(2)20-23-19)14-8-6-5-7-9-14/h5-11,21H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol?
4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol has a molecular weight of 309.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-2-(3-methyl-4-phenyl-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 854607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).