methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate

C10H14N2O4 — CID 14515721

IUPACmethyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate
SMILESCOC(=O)N1CCc2on(C)c(=O)c2CC1
InChIInChI=1S/C10H14N2O4/c1-11-9(13)7-3-5-12(10(14)15-2)6-4-8(7)16-11/h3-6H2,1-2H3
InChIKeyLMWGJLLPDMERML-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.15
Rot. Bonds

About methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate

methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate (PubChem CID 14515721) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate
PubChem CID14515721
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Namemethyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate
SMILESCOC(=O)N1CCc2on(C)c(=O)c2CC1
InChIInChI=1S/C10H14N2O4/c1-11-9(13)7-3-5-12(10(14)15-2)6-4-8(7)16-11/h3-6H2,1-2H3
InChIKeyLMWGJLLPDMERML-UHFFFAOYSA-N
XLogP0.15
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate with MolForge

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Related Compounds

methyl 3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate
CID 54330222
methyl morpholine-4-carboxylate
CID 12575354
methyl 4-(methylhydrazinylidene)piperidine-1-carboxylate
CID 131203603
dimethyl 4,7,13,16-tetraoxa-1,10,21,24-tetrazabicyclo[8.8.8]hexacosane-21,24-dicarboxylate
CID 21316288
tetramethyl 4,7-dioxa-1,10,13,16,21,24-hexazabicyclo[8.8.8]hexacosane-13,16,21,24-tetracarboxylate
CID 21316321
CID 123683302
CID 123683302
methyl piperazin-4-ium-1-carboxylate
CID 6992848
1-methoxycarbonyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 70614874
5-methoxycarbonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 83919332
methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 58879203
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
methyl 4-(2-aminoethoxyimino)piperidine-1-carboxylate
CID 58685033

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate?
The IUPAC name of methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate (CID 14515721) is methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate?
The canonical SMILES for methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate is COC(=O)N1CCc2on(C)c(=O)c2CC1.
What is the InChIKey of methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate?
The InChIKey is LMWGJLLPDMERML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-11-9(13)7-3-5-12(10(14)15-2)6-4-8(7)16-11/h3-6H2,1-2H3.
What are the key properties of methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate?
methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-oxo-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-6-carboxylate is sourced from PubChem (CID 14515721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).