methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate

C7H8N2O3 — CID 117274239

IUPACmethyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
SMILESCOC(=O)c1noc2c1CNC2
InChIInChI=1S/C7H8N2O3/c1-11-7(10)6-4-2-8-3-5(4)12-9-6/h8H,2-3H2,1H3
InChIKeyUOGXXJXNOGWRPO-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.06
Rot. Bonds1

About methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate

methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate (PubChem CID 117274239) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
PubChem CID117274239
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate
SMILESCOC(=O)c1noc2c1CNC2
InChIInChI=1S/C7H8N2O3/c1-11-7(10)6-4-2-8-3-5(4)12-9-6/h8H,2-3H2,1H3
InChIKeyUOGXXJXNOGWRPO-UHFFFAOYSA-N
XLogP0.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole
CID 82418896
4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
CID 175699189
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
methyl 2-(4-methylthiophen-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741547
methyl 2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-4-carboxylate
CID 156634566
N-[(2R)-1,1,1-trifluoropropan-2-yl]-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide;hydrochloride
CID 162689843
methyl 2-thiophen-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741511
methyl 2-(1-methoxycyclobutyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741573
methyl 5-amino-4-cyclopentyl-1,2-oxazole-3-carboxylate
CID 105463948
methyl 1-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 105462928
methyl 2-(4,4-dimethylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741522
methyl 4-ethenyl-5-methyl-1,2-oxazole-3-carboxylate
CID 152577748

Frequently Asked Questions

What is the IUPAC name of methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate?
The IUPAC name of methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate (CID 117274239) is methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate.
What is the SMILES notation for methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate?
The canonical SMILES for methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate is COC(=O)c1noc2c1CNC2.
What is the InChIKey of methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate?
The InChIKey is UOGXXJXNOGWRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-7(10)6-4-2-8-3-5(4)12-9-6/h8H,2-3H2,1H3.
What are the key properties of methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate?
methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate has a molecular weight of 168.15 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole-3-carboxylate is sourced from PubChem (CID 117274239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).