(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone

C17H15NO2 — CID 11414425

IUPAC(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone
SMILESO=C(C1=NOC(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(14-9-5-2-6-10-14)16-12-15(20-18-16)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKeyZJMCSVQDAOAVTN-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.26
Rot. Bonds4

About (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone

(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone (PubChem CID 11414425) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone
PubChem CID11414425
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone
SMILESO=C(C1=NOC(Cc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H15NO2/c19-17(14-9-5-2-6-10-14)16-12-15(20-18-16)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChIKeyZJMCSVQDAOAVTN-UHFFFAOYSA-N
XLogP3.26
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone?
The IUPAC name of (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone (CID 11414425) is (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone.
What is the SMILES notation for (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone?
The canonical SMILES for (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone is O=C(C1=NOC(Cc2ccccc2)C1)c1ccccc1.
What is the InChIKey of (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone?
The InChIKey is ZJMCSVQDAOAVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17(14-9-5-2-6-10-14)16-12-15(20-18-16)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2.
What are the key properties of (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone?
(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone has a molecular weight of 265.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)-phenylmethanone is sourced from PubChem (CID 11414425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).