1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone

C7H9NO3 — CID 14814687

IUPAC1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone
SMILESCOCc1cc(C(C)=O)on1
InChIInChI=1S/C7H9NO3/c1-5(9)7-3-6(4-10-2)8-11-7/h3H,4H2,1-2H3
InChIKeyOXNVDPOYMYBSDA-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.02
Rot. Bonds3

About 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone

1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone (PubChem CID 14814687) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone
PubChem CID14814687
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone
SMILESCOCc1cc(C(C)=O)on1
InChIInChI=1S/C7H9NO3/c1-5(9)7-3-6(4-10-2)8-11-7/h3H,4H2,1-2H3
InChIKeyOXNVDPOYMYBSDA-UHFFFAOYSA-N
XLogP1.02
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-(methoxymethyl)-1,2-oxazole
CID 130537915
1-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanone
CID 66156413
5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole
CID 19958847
3-(methoxymethyl)-1,2-oxazole-5-sulfonamide
CID 167722633
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
3-ethyl-1,2-oxazole-5-carboxamide
CID 22456645
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propanoic acid
CID 66156614
N-[6-amino-5-(2-chlorophenyl)-2-pyridinyl]-3-(methoxymethyl)-1,2-oxazole-5-carboxamide
CID 71111427
3-(acetamidomethyl)-1,2-oxazole-5-carboxylic acid
CID 167721826
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-3,5-dimethylbenzoic acid
CID 66156033
3-propyl-1,2-oxazole-5-carboxamide
CID 45117964

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone?
The IUPAC name of 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone (CID 14814687) is 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone is COCc1cc(C(C)=O)on1.
What is the InChIKey of 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone?
The InChIKey is OXNVDPOYMYBSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-5(9)7-3-6(4-10-2)8-11-7/h3H,4H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone?
1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone has a molecular weight of 155.15 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone is sourced from PubChem (CID 14814687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).