methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate

C10H15NO6 — CID 102324737

IUPACmethyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate
SMILESCOC(=O)[C@@H]1CO[C@]2(C)N1C(=O)O[C@@]2(C)OC
InChIInChI=1S/C10H15NO6/c1-9-10(2,15-4)17-8(13)11(9)6(5-16-9)7(12)14-3/h6H,5H2,1-4H3/t6-,9-,10+/m0/s1
InChIKeySFIOEEIERRTFCP-JMOVZRAMSA-N
MW245.23 g/mol
LogP0.09
Rot. Bonds2

About methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate

methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate (PubChem CID 102324737) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate
PubChem CID102324737
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Namemethyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate
SMILESCOC(=O)[C@@H]1CO[C@]2(C)N1C(=O)O[C@@]2(C)OC
InChIInChI=1S/C10H15NO6/c1-9-10(2,15-4)17-8(13)11(9)6(5-16-9)7(12)14-3/h6H,5H2,1-4H3/t6-,9-,10+/m0/s1
InChIKeySFIOEEIERRTFCP-JMOVZRAMSA-N
XLogP0.09
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate with MolForge

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Related Compounds

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CID 10262742
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CID 118118158
methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-3-prop-2-enyl-2H-[1,3]oxazolo[4,3-b][1,3]oxazole-3-carboxylate
CID 102324741
methyl (6R,7R)-2,2-dimethyl-8-oxo-3-oxa-1-azabicyclo[4.2.0]octane-7-carboxylate
CID 135057089
methyl (3R)-5,5-dimethyl-4-oxooxolane-3-carboxylate
CID 124563040
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
1-[(2S,5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]ethanone
CID 11287407
methyl (4R)-3-hexadecanoyl-2,2-dimethyl-1,3-oxazolidine-4-carboxylate
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4-O-tert-butyl 3-O-methyl (3R)-1-oxa-4-azaspiro[4.5]decane-3,4-dicarboxylate
CID 11109342
methyl (3R,7S,7aR)-3-[(2R)-2-[(4R,5S)-4-hydroxy-5-methoxy-4,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]-3-methoxy-3-oxopropyl]-7-methoxy-7,7a-dimethyl-5-oxo-2H-[1,3]oxazolo[4,3-b][1,3]oxazole-3-carboxylate
CID 16742196
methyl 1-methyl-5-oxopiperidine-2-carboxylate
CID 131405839
methyl 4-acetyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate?
The IUPAC name of methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate (CID 102324737) is methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate.
What is the SMILES notation for methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate?
The canonical SMILES for methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate is COC(=O)[C@@H]1CO[C@]2(C)N1C(=O)O[C@@]2(C)OC.
What is the InChIKey of methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate?
The InChIKey is SFIOEEIERRTFCP-JMOVZRAMSA-N. The full InChI is InChI=1S/C10H15NO6/c1-9-10(2,15-4)17-8(13)11(9)6(5-16-9)7(12)14-3/h6H,5H2,1-4H3/t6-,9-,10+/m0/s1.
What are the key properties of methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate?
methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate has a molecular weight of 245.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,7R,7aS)-7-methoxy-7,7a-dimethyl-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-c][1,3]oxazole-3-carboxylate is sourced from PubChem (CID 102324737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).