N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

C12H13N3O4 — CID 87812787

IUPACN-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=C(NO)c1cc(=O)n2c(n1)C1(CCCC1)OC=C2
InChIInChI=1S/C12H13N3O4/c16-9-7-8(10(17)14-18)13-11-12(3-1-2-4-12)19-6-5-15(9)11/h5-7,18H,1-4H2,(H,14,17)
InChIKeySCFLCHLEOFBSSO-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.59
Rot. Bonds1

About N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide

N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (PubChem CID 87812787) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
PubChem CID87812787
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
SMILESO=C(NO)c1cc(=O)n2c(n1)C1(CCCC1)OC=C2
InChIInChI=1S/C12H13N3O4/c16-9-7-8(10(17)14-18)13-11-12(3-1-2-4-12)19-6-5-15(9)11/h5-7,18H,1-4H2,(H,14,17)
InChIKeySCFLCHLEOFBSSO-UHFFFAOYSA-N
XLogP0.59
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

spiro[4H-pyrimido[2,1-c][1,4]oxazine-9,1'-cyclopentane]-2-carboxamide
CID 69205931
4'-Oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
CID 69400107
N-hydroxy-4'-oxospiro[cyclobutane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
CID 87816929
N-hydroxy-9,9-dimethyl-4-oxopyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 87850813
N-hydroxy-4-oxospiro[6H-pyrimido[2,1-c][1,4]oxazepine-10,1'-cyclobutane]-2-carboxamide
CID 91190636
3'-Hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide
CID 157335077

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The IUPAC name of N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide (CID 87812787) is N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide.
What is the SMILES notation for N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The canonical SMILES for N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is O=C(NO)c1cc(=O)n2c(n1)C1(CCCC1)OC=C2.
What is the InChIKey of N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
The InChIKey is SCFLCHLEOFBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-9-7-8(10(17)14-18)13-11-12(3-1-2-4-12)19-6-5-15(9)11/h5-7,18H,1-4H2,(H,14,17).
What are the key properties of N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide?
N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4'-oxospiro[cyclopentane-1,9'-pyrimido[2,1-c][1,4]oxazine]-2'-carboxamide is sourced from PubChem (CID 87812787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).