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

C19H21NO — CID 24881471

IUPAC5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO/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
InChIKeyXLZNWZZGMUMPFW-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.40
Rot. Bonds6

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

5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole (PubChem CID 24881471) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
PubChem CID24881471
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole
SMILESc1ccc(CCCC2=NOC(Cc3ccccc3)C2)cc1
InChIInChI=1S/C19H21NO/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
InChIKeyXLZNWZZGMUMPFW-UHFFFAOYSA-N
XLogP4.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.40
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?
The IUPAC name of 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole (CID 24881471) is 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole is c1ccc(CCCC2=NOC(Cc3ccccc3)C2)cc1.
What is the InChIKey of 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is XLZNWZZGMUMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/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.
What are the key properties of 5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole?
5-benzyl-3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.40, 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 is sourced from PubChem (CID 24881471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).