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

C18H20ClNO — CID 44585584

IUPAC5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO.ClH/c1-3-7-15(8-4-1)11-12-17-14-18(20-19-17)13-16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H
InChIKeyRWILKXDREVFCPC-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.43
Rot. Bonds5

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

5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride (PubChem CID 44585584) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
PubChem CID44585584
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO.ClH/c1-3-7-15(8-4-1)11-12-17-14-18(20-19-17)13-16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H
InChIKeyRWILKXDREVFCPC-UHFFFAOYSA-N
XLogP4.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The IUPAC name of 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride (CID 44585584) is 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride is Cl.c1ccc(CCC2=NOC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The InChIKey is RWILKXDREVFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/c1-3-7-15(8-4-1)11-12-17-14-18(20-19-17)13-16-9-5-2-6-10-16;/h1-10,18H,11-14H2;1H.
What are the key properties of 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole;hydrochloride is sourced from PubChem (CID 44585584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).