3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole

C19H21NO — CID 90947063

IUPAC3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1CCc1ccccc1
InChIInChI=1S/C19H21NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-10,15,19-20H,11-14H2
InChIKeyQLJOXGIYBMTJKW-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.04
Rot. Bonds6

About 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole

3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole (PubChem CID 90947063) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole
PubChem CID90947063
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCc2ccccc2)NOC1CCc1ccccc1
InChIInChI=1S/C19H21NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-10,15,19-20H,11-14H2
InChIKeyQLJOXGIYBMTJKW-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4,4-Bis(4-fluorophenyl)butyl]-2,5-dihydro-1,2-oxazole
CID 57118295
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91040505
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91064460
3-(3-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91104820
5-Benzyl-3-(2-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91159919
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91214153
5-[(4-Fluorophenyl)methyl]-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91243107
3-(4-Fluorophenyl)-5-phenyl-2,5-dihydro-1,2-oxazole
CID 91347486
5-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-Pentacosafluorotridecyl)-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91373559
3-(4-Fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91396953

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole (CID 90947063) is 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole is C1=C(CCc2ccccc2)NOC1CCc1ccccc1.
What is the InChIKey of 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is QLJOXGIYBMTJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-7-16(8-4-1)11-13-18-15-19(21-20-18)14-12-17-9-5-2-6-10-17/h1-10,15,19-20H,11-14H2.
What are the key properties of 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole?
3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-phenylethyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90947063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).