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

C13H21N3O2 — CID 90536995

IUPACN,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC(C)N(C(=O)c1cnn2c1OCCC2)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)16(10(3)4)12(17)11-8-14-15-6-5-7-18-13(11)15/h8-10H,5-7H2,1-4H3
InChIKeyXNZLMSPPYSILFO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds3

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

N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 90536995) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID90536995
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC(C)N(C(=O)c1cnn2c1OCCC2)C(C)C
InChIInChI=1S/C13H21N3O2/c1-9(2)16(10(3)4)12(17)11-8-14-15-6-5-7-18-13(11)15/h8-10H,5-7H2,1-4H3
InChIKeyXNZLMSPPYSILFO-UHFFFAOYSA-N
XLogP1.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 90536995) is N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is CC(C)N(C(=O)c1cnn2c1OCCC2)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is XNZLMSPPYSILFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)16(10(3)4)12(17)11-8-14-15-6-5-7-18-13(11)15/h8-10H,5-7H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 90536995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).