methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

C13H18N2O6 — CID 58879203

IUPACmethyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CCc2c(OC(=O)OC(C)(C)C)noc2C1
InChIInChI=1S/C13H18N2O6/c1-13(2,3)20-12(17)19-10-8-5-6-15(11(16)18-4)7-9(8)21-14-10/h5-7H2,1-4H3
InChIKeyYOUVXKNOLHMJPN-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.11
Rot. Bonds1

About methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 58879203) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
PubChem CID58879203
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Namemethyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESCOC(=O)N1CCc2c(OC(=O)OC(C)(C)C)noc2C1
InChIInChI=1S/C13H18N2O6/c1-13(2,3)20-12(17)19-10-8-5-6-15(11(16)18-4)7-9(8)21-14-10/h5-7H2,1-4H3
InChIKeyYOUVXKNOLHMJPN-UHFFFAOYSA-N
XLogP2.11
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-methoxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 162360762
methyl 3-prop-1-en-2-yloxycarbonyloxy-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
CID 89362941
tert-butyl 3-formyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carboxylate
CID 83866825
5-O-tert-butyl 3-O-(chloromethyl) 6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3,5-dicarboxylate
CID 165438867
tert-butyl 3-(methylaminomethyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carboxylate
CID 83866764
tert-butyl 3-cyclohexylidenepyrrolidine-1-carboxylate
CID 156839442
6-O-tert-butyl 2-O-methyl 3-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxylate
CID 137429955
tert-butyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 102132128
tert-butyl 4-(aminomethylamino)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 144890974
5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-8-carboxylic acid
CID 154867968
tert-butyl 3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate;ethane
CID 144973709
tert-butyl 3-(2-oxooxolan-3-ylidene)pyrrolidine-1-carboxylate
CID 178184544

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (CID 58879203) is methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is COC(=O)N1CCc2c(OC(=O)OC(C)(C)C)noc2C1.
What is the InChIKey of methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is YOUVXKNOLHMJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-13(2,3)20-12(17)19-10-8-5-6-15(11(16)18-4)7-9(8)21-14-10/h5-7H2,1-4H3.
What are the key properties of methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpropan-2-yl)oxycarbonyloxy]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 58879203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).