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

C21H26N4O4 — CID 142501256

IUPACN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4c3OCCC4)c(N3CCOCC3)cc2O1
InChIInChI=1S/C21H26N4O4/c1-21(2)12-14-10-16(17(11-18(14)29-21)24-5-8-27-9-6-24)23-19(26)15-13-22-25-4-3-7-28-20(15)25/h10-11,13H,3-9,12H2,1-2H3,(H,23,26)
InChIKeyLEDUCWOMDSGIBI-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.47
Rot. Bonds3

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

N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 142501256) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID142501256
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCC1(C)Cc2cc(NC(=O)c3cnn4c3OCCC4)c(N3CCOCC3)cc2O1
InChIInChI=1S/C21H26N4O4/c1-21(2)12-14-10-16(17(11-18(14)29-21)24-5-8-27-9-6-24)23-19(26)15-13-22-25-4-3-7-28-20(15)25/h10-11,13H,3-9,12H2,1-2H3,(H,23,26)
InChIKeyLEDUCWOMDSGIBI-UHFFFAOYSA-N
XLogP2.47
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284274
2-cyclopropyl-N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-1,3-oxazole-4-carboxamide
CID 142501178
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 167038773
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-2-methylsulfinylpyrimidine-4-carboxamide
CID 167038984
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-[6-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298193
N-(3,3-dimethyl-7-morpholin-4-yl-2,4-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 152925341
N-(3,5-dimethylphenyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 90537177
6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284298
N-[(2S)-2-methyl-2-(methylcarbamoyl)-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284270
N-[2-(iodomethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167375705

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 142501256) is N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is CC1(C)Cc2cc(NC(=O)c3cnn4c3OCCC4)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is LEDUCWOMDSGIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-21(2)12-14-10-16(17(11-18(14)29-21)24-5-8-27-9-6-24)23-19(26)15-13-22-25-4-3-7-28-20(15)25/h10-11,13H,3-9,12H2,1-2H3,(H,23,26).
What are the key properties of N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 142501256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).