ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate

C11H12N2O4 — CID 13166083

IUPACethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c(C)cc(=O)oc12
InChIInChI=1S/C11H12N2O4/c1-4-16-11(15)9-7(3)12-13-6(2)5-8(14)17-10(9)13/h5H,4H2,1-3H3
InChIKeyYWZHHMFWPRLOEB-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.08
Rot. Bonds2

About ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate

ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate (PubChem CID 13166083) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate
PubChem CID13166083
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Nameethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate
SMILESCCOC(=O)c1c(C)nn2c(C)cc(=O)oc12
InChIInChI=1S/C11H12N2O4/c1-4-16-11(15)9-7(3)12-13-6(2)5-8(14)17-10(9)13/h5H,4H2,1-3H3
InChIKeyYWZHHMFWPRLOEB-UHFFFAOYSA-N
XLogP1.08
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
The IUPAC name of ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate (CID 13166083) is ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate.
What is the SMILES notation for ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
The canonical SMILES for ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate is CCOC(=O)c1c(C)nn2c(C)cc(=O)oc12.
What is the InChIKey of ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
The InChIKey is YWZHHMFWPRLOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-4-16-11(15)9-7(3)12-13-6(2)5-8(14)17-10(9)13/h5H,4H2,1-3H3.
What are the key properties of ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate?
ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-dimethyl-5-oxopyrazolo[5,1-b][1,3]oxazine-3-carboxylate is sourced from PubChem (CID 13166083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).