N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

C17H21N3O2 — CID 97104398

IUPACN-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H21N3O2/c1-13(8-9-14-6-3-2-4-7-14)18-17(21)15-12-16-20(19-15)10-5-11-22-16/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyOVUXHVJZCADYDC-CYBMUJFWSA-N
MW299.37 g/mol
LogP2.42
Rot. Bonds5

About N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide

N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 97104398) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID97104398
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H21N3O2/c1-13(8-9-14-6-3-2-4-7-14)18-17(21)15-12-16-20(19-15)10-5-11-22-16/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyOVUXHVJZCADYDC-CYBMUJFWSA-N
XLogP2.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide with MolForge

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Related Compounds

N-(1-benzylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959265
N-benzyl-N-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536728
N-benzyl-N-ethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536729
N-(2-methylsulfanylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789317
N-[(1-benzylpyrrolidin-3-yl)methyl]-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-6-carboxamide
CID 136543535
N-(2-butan-2-ylpyrazol-3-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959287
N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 70656046
N-(2-carbamoylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789320
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959342
5-[(2,6-dichlorophenyl)methyl]-4-oxo-N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 93006238
N-benzyl-N-pyridin-2-yl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90536819
N-[3-fluoro-2,6-di(propan-2-yl)phenyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 175829616

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 97104398) is N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is OVUXHVJZCADYDC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(8-9-14-6-3-2-4-7-14)18-17(21)15-12-16-20(19-15)10-5-11-22-16/h2-4,6-7,12-13H,5,8-11H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 97104398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).