[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

C19H24N4O3S — CID 171143431

IUPAC[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
SMILESCc1noc(C23CN(C(=O)c4ccsc4)CC2CN(C2CCOCC2)C3)n1
InChIInChI=1S/C19H24N4O3S/c1-13-20-18(26-21-13)19-11-22(16-2-5-25-6-3-16)8-15(19)9-23(12-19)17(24)14-4-7-27-10-14/h4,7,10,15-16H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyKJKOKOQZXUSKQX-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.94
Rot. Bonds3

About [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

[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 (PubChem CID 171143431) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID171143431
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name[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
SMILESCc1noc(C23CN(C(=O)c4ccsc4)CC2CN(C2CCOCC2)C3)n1
InChIInChI=1S/C19H24N4O3S/c1-13-20-18(26-21-13)19-11-22(16-2-5-25-6-3-16)8-15(19)9-23(12-19)17(24)14-4-7-27-10-14/h4,7,10,15-16H,2-3,5-6,8-9,11-12H2,1H3
InChIKeyKJKOKOQZXUSKQX-UHFFFAOYSA-N
XLogP1.94
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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Related Compounds

[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
[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
[(2R,3aS,7aS)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-thiophen-3-ylmethanone
CID 97392551
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
(3aR,6aR)-5-(4-chlorobenzoyl)-2-(oxan-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72923826
[8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 146073622
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 97422280
(7-methyl-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-thiophen-3-ylmethanone
CID 110196117
[(3S)-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 129418244
(3aR,6aR)-5-(1-methylpyrazole-3-carbonyl)-2-(oxan-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72892729
(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 155954540
N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
CID 124781272

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1noc(C23CN(C(=O)c4ccsc4)CC2CN(C2CCOCC2)C3)n1.
What is the InChIKey of [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?
The InChIKey is KJKOKOQZXUSKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-13-20-18(26-21-13)19-11-22(16-2-5-25-6-3-16)8-15(19)9-23(12-19)17(24)14-4-7-27-10-14/h4,7,10,15-16H,2-3,5-6,8-9,11-12H2,1H3.
What are the key properties of [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?
[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 has a molecular weight of 388.49 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 171143431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).