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

C19H21NO — CID 90841663

IUPAC5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCCc2ccccc2)NOC1Cc1ccccc1
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/h1-6,8-11,15,19-20H,7,12-14H2
InChIKeyIRVJPYPGDPMOLN-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.04
Rot. Bonds6

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

5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole (PubChem CID 90841663) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole
PubChem CID90841663
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole
SMILESC1=C(CCCc2ccccc2)NOC1Cc1ccccc1
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/h1-6,8-11,15,19-20H,7,12-14H2
InChIKeyIRVJPYPGDPMOLN-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzeneethanamine, N-(phenylmethoxy)-
CID 14545021
(4R)-N-[(1S)-1-phenylbutoxy]non-8-en-4-amine
CID 10708581
1-phenyl-N-(1-phenylethoxy)but-3-en-1-amine
CID 15261431
N-benzhydryloxypropan-1-amine
CID 88804497
5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
CID 57249872
3-(4-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90865219
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
3-(3-Fluorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91104820
5-Benzyl-3-(2-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91159919
5-[(4-Fluorophenyl)methyl]-3-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 91243107
5-benzyl-3-(2-fluorophenyl)-5-methyl-2H-1,2-oxazole
CID 91261845
3-(4-Fluorophenyl)-5-phenyl-2,5-dihydro-1,2-oxazole
CID 91347486

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole (CID 90841663) is 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole is C1=C(CCCc2ccccc2)NOC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is IRVJPYPGDPMOLN-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/h1-6,8-11,15,19-20H,7,12-14H2.
What are the key properties of 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole?
5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 279.38 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-phenylpropyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90841663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).