5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole

C16H15NO — CID 91068701

IUPAC5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1Cc1ccccc1
InChIInChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,12,15,17H,11H2
InChIKeyMTOMHNGLJQUYBF-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.17
Rot. Bonds3

About 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole

5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole (PubChem CID 91068701) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole
PubChem CID91068701
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESC1=C(c2ccccc2)NOC1Cc1ccccc1
InChIInChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,12,15,17H,11H2
InChIKeyMTOMHNGLJQUYBF-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,2-dimethyl-1-phenyl-N-(1-phenylethoxy)propan-1-amine
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N,O-Dibenzylhydroxylamine
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Benzyloxyaniline
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3-[3-[5-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]prop-2-yn-1-ol
CID 56982800
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5-(4-Fluorophenyl)-3-(3-iodophenyl)-2,5-dihydro-1,2-oxazole
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CID 90865219
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole (CID 91068701) is 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole is C1=C(c2ccccc2)NOC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is MTOMHNGLJQUYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,12,15,17H,11H2.
What are the key properties of 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole?
5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 237.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-phenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91068701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).