N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C11H17N3O4 — CID 71789433

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC(CO)(CO)NC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H17N3O4/c1-11(6-15,7-16)13-9(17)8-5-12-14-3-2-4-18-10(8)14/h5,15-16H,2-4,6-7H2,1H3,(H,13,17)
InChIKeyYLIIIZHLCBBQFO-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.86
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789433) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789433
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC(CO)(CO)NC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C11H17N3O4/c1-11(6-15,7-16)13-9(17)8-5-12-14-3-2-4-18-10(8)14/h5,15-16H,2-4,6-7H2,1H3,(H,13,17)
InChIKeyYLIIIZHLCBBQFO-UHFFFAOYSA-N
XLogP-0.86
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
6,6-dimethyl-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine-3-carboxylic acid
CID 71777859
(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925364
ethyl 4-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)piperidine-1-carboxylate
CID 71789463
N-methoxy-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789496
ethyl 2-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamido)acetate
CID 71789434
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789455
N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789485
N-(4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 138012456
N-[(1R,2R)-2-fluorocyclopentyl]-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxamide
CID 154883616
6-amino-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid
CID 165884582
6-(2,2,2-trifluoroacetamido)-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine-3-carboxylic acid
CID 165983439

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789433) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is CC(CO)(CO)NC(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is YLIIIZHLCBBQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(6-15,7-16)13-9(17)8-5-12-14-3-2-4-18-10(8)14/h5,15-16H,2-4,6-7H2,1H3,(H,13,17).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 255.27 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).