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

C17H23N3O2 — CID 90536932

IUPACN-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H23N3O2/c21-16(14-7-15-20(19-14)2-1-3-22-15)18-17-8-11-4-12(9-17)6-13(5-11)10-17/h7,11-13H,1-6,8-10H2,(H,18,21)
InChIKeyPRVWTSQUSVDGFU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.36
Rot. Bonds2

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

N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 90536932) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID90536932
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)CCCO2
InChIInChI=1S/C17H23N3O2/c21-16(14-7-15-20(19-14)2-1-3-22-15)18-17-8-11-4-12(9-17)6-13(5-11)10-17/h7,11-13H,1-6,8-10H2,(H,18,21)
InChIKeyPRVWTSQUSVDGFU-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 90536932) is N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2n(n1)CCCO2.
What is the InChIKey of N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is PRVWTSQUSVDGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16(14-7-15-20(19-14)2-1-3-22-15)18-17-8-11-4-12(9-17)6-13(5-11)10-17/h7,11-13H,1-6,8-10H2,(H,18,21).
What are the key properties of N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 90536932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).