5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride

C19H22ClNO — CID 44585634

IUPAC5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO.ClH/c1-3-8-16(9-4-1)12-7-13-18-15-19(21-20-18)14-17-10-5-2-6-11-17;/h1-6,8-11,19H,7,12-15H2;1H
InChIKeyGDSWLPINCWGMJL-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.82
Rot. Bonds6

About 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride

5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride (PubChem CID 44585634) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
PubChem CID44585634
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO.ClH/c1-3-8-16(9-4-1)12-7-13-18-15-19(21-20-18)14-17-10-5-2-6-11-17;/h1-6,8-11,19H,7,12-15H2;1H
InChIKeyGDSWLPINCWGMJL-UHFFFAOYSA-N
XLogP4.82
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The IUPAC name of 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride (CID 44585634) is 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride is Cl.c1ccc(CCCC2=NOC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The InChIKey is GDSWLPINCWGMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.ClH/c1-3-8-16(9-4-1)12-7-13-18-15-19(21-20-18)14-17-10-5-2-6-11-17;/h1-6,8-11,19H,7,12-15H2;1H.
What are the key properties of 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride is sourced from PubChem (CID 44585634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).