[4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone

C18H22N4O5S — CID 138999050

IUPAC[4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c2c1N(S(=O)(=O)c1ccc(C(=O)N3CCOCC3)cc1)CCO2
InChIInChI=1S/C18H22N4O5S/c1-13-16-18(20(2)19-13)27-12-9-22(16)28(24,25)15-5-3-14(4-6-15)17(23)21-7-10-26-11-8-21/h3-6H,7-12H2,1-2H3
InChIKeyBGUZEMQJLLGSNF-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.79
Rot. Bonds3

About [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone

[4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone (PubChem CID 138999050) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone
PubChem CID138999050
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name[4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone
SMILESCc1nn(C)c2c1N(S(=O)(=O)c1ccc(C(=O)N3CCOCC3)cc1)CCO2
InChIInChI=1S/C18H22N4O5S/c1-13-16-18(20(2)19-13)27-12-9-22(16)28(24,25)15-5-3-14(4-6-15)17(23)21-7-10-26-11-8-21/h3-6H,7-12H2,1-2H3
InChIKeyBGUZEMQJLLGSNF-UHFFFAOYSA-N
XLogP0.79
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

1,3-dimethyl-4-(4-propan-2-yloxyphenyl)sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
CID 138999045
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
4-[3-chloro-5-(methoxymethyl)phenyl]sulfonyl-1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazine
CID 139003080
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90506482
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
[4-[1-(4-ethylphenyl)sulfonyl-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383999
[4-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]phenyl]-morpholin-4-ylmethanone
CID 46383992
[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119978011
[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 167855801

Frequently Asked Questions

What is the IUPAC name of [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone (CID 138999050) is [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone is Cc1nn(C)c2c1N(S(=O)(=O)c1ccc(C(=O)N3CCOCC3)cc1)CCO2.
What is the InChIKey of [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BGUZEMQJLLGSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-13-16-18(20(2)19-13)27-12-9-22(16)28(24,25)15-5-3-14(4-6-15)17(23)21-7-10-26-11-8-21/h3-6H,7-12H2,1-2H3.
What are the key properties of [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone?
[4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 406.46 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,3-dimethyl-5,6-dihydropyrazolo[5,4-b][1,4]oxazin-4-yl)sulfonyl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 138999050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).