[5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone

C22H22N4O4 — CID 171143498

IUPAC[5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone
SMILESCc1noc(C23CN(C(=O)c4ccccc4)CC2CN(C(=O)c2ccoc2C)C3)n1
InChIInChI=1S/C22H22N4O4/c1-14-18(8-9-29-14)20(28)26-11-17-10-25(19(27)16-6-4-3-5-7-16)12-22(17,13-26)21-23-15(2)24-30-21/h3-9,17H,10-13H2,1-2H3
InChIKeyUBJRKJGWNUPGQI-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.45
Rot. Bonds3

About [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone

[5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone (PubChem CID 171143498) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone
PubChem CID171143498
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name[5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone
SMILESCc1noc(C23CN(C(=O)c4ccccc4)CC2CN(C(=O)c2ccoc2C)C3)n1
InChIInChI=1S/C22H22N4O4/c1-14-18(8-9-29-14)20(28)26-11-17-10-25(19(27)16-6-4-3-5-7-16)12-22(17,13-26)21-23-15(2)24-30-21/h3-9,17H,10-13H2,1-2H3
InChIKeyUBJRKJGWNUPGQI-UHFFFAOYSA-N
XLogP2.45
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 171143494
[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(oxan-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-thiophen-3-ylmethanone
CID 171143431
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(1-phenylcyclopropanecarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073198
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(5-methylpyridine-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073037
cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 156610719
tert-butyl (1R,5R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86699315
N-[(3aR,5R,6aR)-2-benzyl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-methylpyridine-4-carboxamide
CID 146073285
[4-(2-methylfuran-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991537
N-[(3aR,5R,6aR)-2-(1H-indole-4-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073184
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone?
The IUPAC name of [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone (CID 171143498) is [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone is Cc1noc(C23CN(C(=O)c4ccccc4)CC2CN(C(=O)c2ccoc2C)C3)n1.
What is the InChIKey of [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone?
The InChIKey is UBJRKJGWNUPGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-14-18(8-9-29-14)20(28)26-11-17-10-25(19(27)16-6-4-3-5-7-16)12-22(17,13-26)21-23-15(2)24-30-21/h3-9,17H,10-13H2,1-2H3.
What are the key properties of [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone?
[5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone has a molecular weight of 406.44 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylfuran-3-carbonyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-phenylmethanone is sourced from PubChem (CID 171143498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).