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

C17H18ClNO — CID 44585630

IUPAC3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C17H17NO.ClH/c1-3-7-14(8-4-1)11-12-16-13-17(18-19-16)15-9-5-2-6-10-15;/h1-10,16H,11-13H2;1H
InChIKeyNKVUKGIJVYTVAH-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.23
Rot. Bonds4

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

3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride (PubChem CID 44585630) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
PubChem CID44585630
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C17H17NO.ClH/c1-3-7-14(8-4-1)11-12-16-13-17(18-19-16)15-9-5-2-6-10-15;/h1-10,16H,11-13H2;1H
InChIKeyNKVUKGIJVYTVAH-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The IUPAC name of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride (CID 44585630) is 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride is Cl.c1ccc(CCC2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The InChIKey is NKVUKGIJVYTVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.ClH/c1-3-7-14(8-4-1)11-12-16-13-17(18-19-16)15-9-5-2-6-10-15;/h1-10,16H,11-13H2;1H.
What are the key properties of 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride is sourced from PubChem (CID 44585630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).