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

C18H20ClNO — CID 44585655

IUPAC5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO.ClH/c1-3-8-15(9-4-1)10-7-13-17-14-18(20-19-17)16-11-5-2-6-12-16;/h1-6,8-9,11-12,18H,7,10,13-14H2;1H
InChIKeyPYDQWXVBRZUDHW-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.95
Rot. Bonds5

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

5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride (PubChem CID 44585655) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
PubChem CID44585655
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(CCCC2=NOC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H19NO.ClH/c1-3-8-15(9-4-1)10-7-13-17-14-18(20-19-17)16-11-5-2-6-12-16;/h1-6,8-9,11-12,18H,7,10,13-14H2;1H
InChIKeyPYDQWXVBRZUDHW-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The IUPAC name of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride (CID 44585655) is 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride is Cl.c1ccc(CCCC2=NOC(c3ccccc3)C2)cc1.
What is the InChIKey of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
The InChIKey is PYDQWXVBRZUDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO.ClH/c1-3-8-15(9-4-1)10-7-13-17-14-18(20-19-17)16-11-5-2-6-12-16;/h1-6,8-9,11-12,18H,7,10,13-14H2;1H.
What are the key properties of 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride?
5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride has a molecular weight of 301.82 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole;hydrochloride is sourced from PubChem (CID 44585655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).