[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone

C17H15NO3 — CID 15445658

IUPAC[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(C1=NOC(COc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-17(13-7-3-1-4-8-13)16-11-15(21-18-16)12-20-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyHZPUETUXAKPPME-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.09
Rot. Bonds5

About [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone

[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone (PubChem CID 15445658) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
PubChem CID15445658
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone
SMILESO=C(C1=NOC(COc2ccccc2)C1)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-17(13-7-3-1-4-8-13)16-11-15(21-18-16)12-20-14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChIKeyHZPUETUXAKPPME-UHFFFAOYSA-N
XLogP3.09
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-5-phenylpentan-1-one
CID 15445662
1-[5-(2-phenoxyethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethanone
CID 130287442
N-(2-methylpropyl)-5-(5-phenoxypentyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 130275036
N-[3-(oxolan-2-ylmethoxy)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 60525118
[4-[(3,3-dimethyloxiran-2-yl)methoxy]phenyl]-phenylmethanone
CID 88845639
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
(5S)-5-[(4-nitrophenoxy)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 945601
(5R)-5-[(4-nitrophenoxy)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 945600
[4-[8-(4-benzoylphenoxy)octoxy]phenyl]-phenylmethanone
CID 134886756
N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 146602047

Frequently Asked Questions

What is the IUPAC name of [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
The IUPAC name of [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone (CID 15445658) is [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone.
What is the SMILES notation for [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
The canonical SMILES for [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone is O=C(C1=NOC(COc2ccccc2)C1)c1ccccc1.
What is the InChIKey of [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
The InChIKey is HZPUETUXAKPPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(13-7-3-1-4-8-13)16-11-15(21-18-16)12-20-14-9-5-2-6-10-14/h1-10,15H,11-12H2.
What are the key properties of [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone?
[5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone has a molecular weight of 281.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(phenoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone is sourced from PubChem (CID 15445658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).