methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate

C10H13NO5 — CID 46949941

IUPACmethyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate
SMILESCOC(=O)CC(=O)CCc1cc(OC)no1
InChIInChI=1S/C10H13NO5/c1-14-9-6-8(16-11-9)4-3-7(12)5-10(13)15-2/h6H,3-5H2,1-2H3
InChIKeyOEPNIDRWRCZFDM-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.75
Rot. Bonds6

About methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate

methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate (PubChem CID 46949941) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate
PubChem CID46949941
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namemethyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate
SMILESCOC(=O)CC(=O)CCc1cc(OC)no1
InChIInChI=1S/C10H13NO5/c1-14-9-6-8(16-11-9)4-3-7(12)5-10(13)15-2/h6H,3-5H2,1-2H3
InChIKeyOEPNIDRWRCZFDM-UHFFFAOYSA-N
XLogP0.75
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(3-Methoxy-1,2-oxazol-5-yl)propanoic acid
CID 327719
3-(3-Ethoxyisoxazol-5-yl)propanoic acid
CID 6484473
2,2,3,3-Tetrafluoropropyl 3-(3-methoxy-1,2-oxazol-5-yl)propanoate
CID 154763566
3,3-Difluoro-3-(3-methoxy-1,2-oxazol-5-yl)propanoic acid
CID 165646370
2,2-Difluoro-3-(3-methoxy-1,2-oxazol-5-yl)propanoic acid
CID 165708018
3-(3-Isopropoxy-isoxazol-5-yl)-propionic acid
CID 3161865
Ethyl 2-(3-methoxy-1,2-oxazol-5-yl)acetate
CID 13395786
3-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]-5-pentadecyl-1,2-oxazole
CID 19986064
(5-Propyl-1,2-oxazol-3-yl) carbonochloridate
CID 21692501
3-(3-Methoxyisoxazol-5-yl)propan-1-ol
CID 45099142
Ethyl 6-(3-methoxy-1,2-oxazole-5-carbonyl)-7-oxooctanoate
CID 57444508
5-(2,2-Dimethylpropyl)-3-methoxy-1,2-oxazole
CID 59574815

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate?
The IUPAC name of methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate (CID 46949941) is methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate.
What is the SMILES notation for methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate?
The canonical SMILES for methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate is COC(=O)CC(=O)CCc1cc(OC)no1.
What is the InChIKey of methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate?
The InChIKey is OEPNIDRWRCZFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-14-9-6-8(16-11-9)4-3-7(12)5-10(13)15-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate?
methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate has a molecular weight of 227.22 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-methoxy-1,2-oxazol-5-yl)-3-oxopentanoate is sourced from PubChem (CID 46949941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).