methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate

C10H12N2O4 — CID 90655142

IUPACmethyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate
SMILESCOC(=O)c1noc2c1CN(C(C)=O)CC2
InChIInChI=1S/C10H12N2O4/c1-6(13)12-4-3-8-7(5-12)9(11-16-8)10(14)15-2/h3-5H2,1-2H3
InChIKeyVWHBHHJDGTZJAK-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.37
Rot. Bonds1

About methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate

methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate (PubChem CID 90655142) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate
PubChem CID90655142
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate
SMILESCOC(=O)c1noc2c1CN(C(C)=O)CC2
InChIInChI=1S/C10H12N2O4/c1-6(13)12-4-3-8-7(5-12)9(11-16-8)10(14)15-2/h3-5H2,1-2H3
InChIKeyVWHBHHJDGTZJAK-UHFFFAOYSA-N
XLogP0.37
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butoxy)carbonyl]-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 57618622
Ethyl 4-(4,5,6,7-tetrahydrobenzo[2,1-d]isoxazol-3-ylcarbonyl)piperazinecarboxy late
CID 17254499
4H,5H,6H,7H-[1,2]Oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 57434476
Ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate;2,2,2-trifluoroacetic acid
CID 159583288
6-tert-butyl 3-methyl 4,5-dihydroisoxazolo[5,4-c]pyridine-3,6(7H)-dicarboxylate
CID 46942122
5-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylic acid
CID 83919745
2-[[5-(1-fluorocyclobutanecarbonyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methoxy]-N,N-dimethylacetamide
CID 131685124
[3-(cyclopropylmethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
CID 131685149
(1-fluorocyclobutyl)-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 131685191
[3-(ethoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-(1-fluorocyclobutyl)methanone
CID 131685192
(1-fluorocyclobutyl)-[3-(methoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 131685200
3-fluoro-1-[3-(prop-2-enoxymethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propan-1-one
CID 131690122

Frequently Asked Questions

What is the IUPAC name of methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate (CID 90655142) is methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate is COC(=O)c1noc2c1CN(C(C)=O)CC2.
What is the InChIKey of methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate?
The InChIKey is VWHBHHJDGTZJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(13)12-4-3-8-7(5-12)9(11-16-8)10(14)15-2/h3-5H2,1-2H3.
What are the key properties of methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate?
methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-acetyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxylate is sourced from PubChem (CID 90655142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).