5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole

C20H23NO — CID 15445648

IUPAC5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCCC2=NOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO/c1-3-8-17(9-4-1)12-7-13-19-16-20(22-21-19)15-14-18-10-5-2-6-11-18/h1-6,8-11,20H,7,12-16H2
InChIKeyOPYLYDNQWRPCPY-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.79
Rot. Bonds7

About 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole

5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole (PubChem CID 15445648) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
PubChem CID15445648
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCCC2=NOC(CCc3ccccc3)C2)cc1
InChIInChI=1S/C20H23NO/c1-3-8-17(9-4-1)12-7-13-19-16-20(22-21-19)15-14-18-10-5-2-6-11-18/h1-6,8-11,20H,7,12-16H2
InChIKeyOPYLYDNQWRPCPY-UHFFFAOYSA-N
XLogP4.79
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol
CID 42613647
5-(fluoromethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 154714385
4-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol;hydrochloride
CID 44585587
3-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)propanoic acid
CID 14616477
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
2-(2-phenylethyl)oxetane
CID 13354102
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
5-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 175040461
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole (CID 15445648) is 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCCC2=NOC(CCc3ccccc3)C2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is OPYLYDNQWRPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-3-8-17(9-4-1)12-7-13-19-16-20(22-21-19)15-14-18-10-5-2-6-11-18/h1-6,8-11,20H,7,12-16H2.
What are the key properties of 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 293.41 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 15445648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).