N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C10H15N3O2 — CID 90536765

IUPACN-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(C)NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C10H15N3O2/c1-7(2)11-10(14)8-6-9-13(12-8)4-3-5-15-9/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyQRYALDFJLXWCOM-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.80
Rot. Bonds2

About N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536765) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536765
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESCC(C)NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C10H15N3O2/c1-7(2)11-10(14)8-6-9-13(12-8)4-3-5-15-9/h6-7H,3-5H2,1-2H3,(H,11,14)
InChIKeyQRYALDFJLXWCOM-UHFFFAOYSA-N
XLogP0.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536765) is N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is CC(C)NC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is QRYALDFJLXWCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7(2)11-10(14)8-6-9-13(12-8)4-3-5-15-9/h6-7H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).