1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone

C13H13NO3 — CID 28782365

IUPAC1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(C)on2)c1
InChIInChI=1S/C13H13NO3/c1-9-6-12(14-17-9)8-16-13-5-3-4-11(7-13)10(2)15/h3-7H,8H2,1-2H3
InChIKeyQHSMYVRTWNHHKP-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.76
Rot. Bonds4

About 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone

1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone (PubChem CID 28782365) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
PubChem CID28782365
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2cc(C)on2)c1
InChIInChI=1S/C13H13NO3/c1-9-6-12(14-17-9)8-16-13-5-3-4-11(7-13)10(2)15/h3-7H,8H2,1-2H3
InChIKeyQHSMYVRTWNHHKP-UHFFFAOYSA-N
XLogP2.76
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-phenylmethanone
CID 9137989
(1R)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanol
CID 63365604
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
1-[3-[(1-butan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 64801500
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-[3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
CID 75471143

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone (CID 28782365) is 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2cc(C)on2)c1.
What is the InChIKey of 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone?
The InChIKey is QHSMYVRTWNHHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9-6-12(14-17-9)8-16-13-5-3-4-11(7-13)10(2)15/h3-7H,8H2,1-2H3.
What are the key properties of 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone?
1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone has a molecular weight of 231.25 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 28782365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).