5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride

C17H18ClNO — CID 44585632

IUPAC5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO.ClH/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15;/h1-10,17H,11-13H2;1H
InChIKeyLBPDBJPGQXEYET-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.56
Rot. Bonds4

About 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride

5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride (PubChem CID 44585632) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
PubChem CID44585632
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C17H17NO.ClH/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15;/h1-10,17H,11-13H2;1H
InChIKeyLBPDBJPGQXEYET-UHFFFAOYSA-N
XLogP4.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The IUPAC name of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride (CID 44585632) is 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride is Cl.c1ccc(CCC2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The InChIKey is LBPDBJPGQXEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.ClH/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15;/h1-10,17H,11-13H2;1H.
What are the key properties of 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride is sourced from PubChem (CID 44585632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).