N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

C11H9N3O4 — CID 87812367

IUPACN-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=NC(=O)C1=CCN2C=COC3(C=COC3)C2=N1
InChIInChI=1S/C11H9N3O4/c15-9(13-16)8-1-3-14-4-6-18-11(10(14)12-8)2-5-17-7-11/h1-2,4-6H,3,7H2
InChIKeyPSWNRXZLTYZROH-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.66
Rot. Bonds1

About N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (PubChem CID 87812367) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.

Molecular Properties

Compound NameN-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
PubChem CID87812367
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC NameN-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=NC(=O)C1=CCN2C=COC3(C=COC3)C2=N1
InChIInChI=1S/C11H9N3O4/c15-9(13-16)8-1-3-14-4-6-18-11(10(14)12-8)2-5-17-7-11/h1-2,4-6H,3,7H2
InChIKeyPSWNRXZLTYZROH-UHFFFAOYSA-N
XLogP0.66
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The IUPAC name of N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (CID 87812367) is N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.
What is the SMILES notation for N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The canonical SMILES for N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is O=NC(=O)C1=CCN2C=COC3(C=COC3)C2=N1.
What is the InChIKey of N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The InChIKey is PSWNRXZLTYZROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-9(13-16)8-1-3-14-4-6-18-11(10(14)12-8)2-5-17-7-11/h1-2,4-6H,3,7H2.
What are the key properties of N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide has a molecular weight of 247.21 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxospiro[2H-furan-3,9'-4H-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is sourced from PubChem (CID 87812367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).