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

C20H24N6O3 — CID 91959274

IUPACN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cc2n(n1)CCCO2
InChIInChI=1S/C20H24N6O3/c27-19(16-14-18-26(23-16)6-3-11-29-18)22-20-21-15-4-1-2-5-17(15)25(20)8-7-24-9-12-28-13-10-24/h1-2,4-5,14H,3,6-13H2,(H,21,22,27)
InChIKeyRFOKHPSDCVWJQT-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.60
Rot. Bonds5

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

N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (PubChem CID 91959274) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
PubChem CID91959274
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cc2n(n1)CCCO2
InChIInChI=1S/C20H24N6O3/c27-19(16-14-18-26(23-16)6-3-11-29-18)22-20-21-15-4-1-2-5-17(15)25(20)8-7-24-9-12-28-13-10-24/h1-2,4-5,14H,3,6-13H2,(H,21,22,27)
InChIKeyRFOKHPSDCVWJQT-UHFFFAOYSA-N
XLogP1.60
TPSA86.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-chloro-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 17026881
4-iodo-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1028481
2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39734554
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17020632
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 118725842
2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39855257
3-methoxy-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956377
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
2,5-dimethyl-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-3-carboxamide
CID 35524627
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide
CID 56725089
2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 17374527

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The IUPAC name of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide (CID 91959274) is N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The canonical SMILES for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cc2n(n1)CCCO2.
What is the InChIKey of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
The InChIKey is RFOKHPSDCVWJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c27-19(16-14-18-26(23-16)6-3-11-29-18)22-20-21-15-4-1-2-5-17(15)25(20)8-7-24-9-12-28-13-10-24/h1-2,4-5,14H,3,6-13H2,(H,21,22,27).
What are the key properties of N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide?
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide is sourced from PubChem (CID 91959274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).