2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole

C54H45N3O6 — CID 157271682

IUPAC2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole
SMILESCC(C)c1c(-c2ncco2)ccc2c1oc1ccccc12.CC(C)c1cnc(-c2ccc3c(c2)oc2ccccc23)o1.CC(C)c1coc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/3C18H15NO2/c1-11(2)15-10-20-18(19-15)12-7-8-14-13-5-3-4-6-16(13)21-17(14)9-12;1-11(2)17-10-19-18(21-17)12-7-8-14-13-5-3-4-6-15(13)20-16(14)9-12;1-11(2)16-14(18-19-9-10-20-18)8-7-13-12-5-3-4-6-15(12)21-17(13)16/h3*3-11H,1-2H3
InChIKeyAYPOKQAHLYDRBX-UHFFFAOYSA-N
MW831.97 g/mol
LogP16.09
Rot. Bonds6

About 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole

2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole (PubChem CID 157271682) has the molecular formula C54H45N3O6 and a molecular weight of 831.97 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole
PubChem CID157271682
Molecular FormulaC54H45N3O6
Molecular Weight831.97 g/mol
Exact Mass831.33
IUPAC Name2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole
SMILESCC(C)c1c(-c2ncco2)ccc2c1oc1ccccc12.CC(C)c1cnc(-c2ccc3c(c2)oc2ccccc23)o1.CC(C)c1coc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/3C18H15NO2/c1-11(2)15-10-20-18(19-15)12-7-8-14-13-5-3-4-6-16(13)21-17(14)9-12;1-11(2)17-10-19-18(21-17)12-7-8-14-13-5-3-4-6-15(13)20-16(14)9-12;1-11(2)16-14(18-19-9-10-20-18)8-7-13-12-5-3-4-6-15(12)21-17(13)16/h3*3-11H,1-2H3
InChIKeyAYPOKQAHLYDRBX-UHFFFAOYSA-N
XLogP16.09
TPSA117.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.97
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole with MolForge

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Related Compounds

2-Methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;5-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole;4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 157417839
1-(1-Benzofuran-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-phenylbutane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 159695008
1-(1-Benzofuran-5-yl)-4-(4-methylphenyl)butane-1,4-dione;tris(1-(1-benzofuran-5-yl)-4-phenylbutane-1,4-dione);1-(1-benzofuran-5-yl)-4-pyridin-2-ylbutane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-(4-methylphenyl)butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-[2-(trifluoromethyl)phenyl]butane-1,4-dione;1-(1,3-benzoxazol-5-yl)-4-[3-(trifluoromethyl)phenyl]butane-1,4-dione
CID 161472986
2-(4-Fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 161826272
3,5-dimethyl-1H-indene;6-(2,2-dimethylpropyl)-2-methyl-1-benzofuran;6-(2,2-dimethylpropyl)-2-methyl-1,3-benzoxazole;2-methyl-1-benzofuran;2-methyl-1,3-benzoxazole;5-methyl-1H-indene;6-methyl-3H-indole;2-methyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-oxazole
CID 167702930
6-[4-[4-(2-tert-butyl-1,3-oxazol-5-yl)-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-4-[4-(trifluoromethyl)phenyl]-7H-dibenzofuran-7-ide-3-carbonitrile;iridium;2-phenyl-5-(trideuteriomethyl)pyridine
CID 169301588
2-(3H-dibenzofuran-3-id-4-yl)-4-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]-5-(trideuteriomethyl)pyridine;iridium;4-(2-phenyl-3-pyridinyl)-2,5-bis(trifluoromethyl)-1,3-oxazole
CID 172541871
2-Phenyl-5-[4-[[2,4,6-trimethyl-3,5-bis[[4-(2-phenyl-1,3-oxazol-5-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-1,3-oxazole
CID 135032438
4-[2-[5-[(E)-2-[2,5-bis(2-ethylhexoxy)-4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]phenyl]ethenyl]-1,2-dimethylindol-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methyl-2-phenyl-1,3-oxazole
CID 101384089
6-[4-[4-(2-Tert-butyl-1,3-oxazol-5-yl)-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-4-[4-(trifluoromethyl)phenyl]dibenzofuran-3-carbonitrile
CID 169301589
2-[6-(1-Benzofuran-2-yl)pyren-1-yl]-5-phenyl-1,3-oxazole
CID 57610793
2-[4-[5,5,15,15,25,25-Hexamethyl-22-(3-pyridin-3-yl-1-benzofuran-2-yl)-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]phenyl]-1,3-benzoxazole
CID 59413435

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole?
The IUPAC name of 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole (CID 157271682) is 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole?
The canonical SMILES for 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole is CC(C)c1c(-c2ncco2)ccc2c1oc1ccccc12.CC(C)c1cnc(-c2ccc3c(c2)oc2ccccc23)o1.CC(C)c1coc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole?
The InChIKey is AYPOKQAHLYDRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15NO2/c1-11(2)15-10-20-18(19-15)12-7-8-14-13-5-3-4-6-16(13)21-17(14)9-12;1-11(2)17-10-19-18(21-17)12-7-8-14-13-5-3-4-6-15(13)20-16(14)9-12;1-11(2)16-14(18-19-9-10-20-18)8-7-13-12-5-3-4-6-15(12)21-17(13)16/h3*3-11H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole?
2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole has a molecular weight of 831.97 g/mol, XLogP of 16.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-propan-2-yl-1,3-oxazole;2-dibenzofuran-3-yl-5-propan-2-yl-1,3-oxazole;2-(4-propan-2-yldibenzofuran-3-yl)-1,3-oxazole is sourced from PubChem (CID 157271682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).