2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol

C20H19NO3 — CID 54126374

IUPAC2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2coc(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H19NO3/c22-13-12-17-6-9-19(10-7-17)23-14-18-15-24-20(21-18)11-8-16-4-2-1-3-5-16/h1-11,15,22H,12-14H2
InChIKeyNRGCATKUVGXWLQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.96
Rot. Bonds7

About 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol

2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol (PubChem CID 54126374) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
PubChem CID54126374
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol
SMILESOCCc1ccc(OCc2coc(C=Cc3ccccc3)n2)cc1
InChIInChI=1S/C20H19NO3/c22-13-12-17-6-9-19(10-7-17)23-14-18-15-24-20(21-18)11-8-16-4-2-1-3-5-16/h1-11,15,22H,12-14H2
InChIKeyNRGCATKUVGXWLQ-UHFFFAOYSA-N
XLogP3.96
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(E)-2-phenylethenyl]-4-[(4-propylphenoxy)methyl]-1,3-oxazole
CID 173184404
2-[(E)-2-phenylethenyl]-4-[[4-[4-(triazol-2-yl)butyl]phenoxy]methyl]-1,3-oxazole
CID 22009756
4-hydroxy-5-[2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethyl]-3-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methyl]-1,3-thiazol-2-one
CID 54092892
5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 67718322
2-[[4-[[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]methoxy]ethanol
CID 139970335
1-methyl-5-[3-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]imidazolidine-2,4-dione
CID 67717753
5-[4-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 139722450
4-[[4-(4-pyridin-2-ylbutyl)phenoxy]methyl]-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazole
CID 139970287
5-[6-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]hexyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 139722477
5-[7-[4-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]heptyl]-3-[[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 139722476
4-[[6-(3-imidazol-1-ylpropyl)naphthalen-2-yl]oxymethyl]-2-[(E)-2-phenylethenyl]-1,3-oxazole
CID 139970266
[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
CID 102529485

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol (CID 54126374) is 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol is OCCc1ccc(OCc2coc(C=Cc3ccccc3)n2)cc1.
What is the InChIKey of 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol?
The InChIKey is NRGCATKUVGXWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-13-12-17-6-9-19(10-7-17)23-14-18-15-24-20(21-18)11-8-16-4-2-1-3-5-16/h1-11,15,22H,12-14H2.
What are the key properties of 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol?
2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol has a molecular weight of 321.38 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-phenylethenyl)-1,3-oxazol-4-yl]methoxy]phenyl]ethanol is sourced from PubChem (CID 54126374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).