(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C15H19N5O3 — CID 50975999

IUPAC(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCc2noc(-c3ccco3)n2)C1
InChIInChI=1S/C15H19N5O3/c1-20-7-10-5-16-8-15(10,9-20)14(21)17-6-12-18-13(23-19-12)11-3-2-4-22-11/h2-4,10,16H,5-9H2,1H3,(H,17,21)/t10-,15-/m1/s1
InChIKeyRXCMSEMTLHFURK-MEBBXXQBSA-N
MW317.35 g/mol
LogP0.10
Rot. Bonds4

About (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50975999) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50975999
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCN1C[C@H]2CNC[C@@]2(C(=O)NCc2noc(-c3ccco3)n2)C1
InChIInChI=1S/C15H19N5O3/c1-20-7-10-5-16-8-15(10,9-20)14(21)17-6-12-18-13(23-19-12)11-3-2-4-22-11/h2-4,10,16H,5-9H2,1H3,(H,17,21)/t10-,15-/m1/s1
InChIKeyRXCMSEMTLHFURK-MEBBXXQBSA-N
XLogP0.10
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide with MolForge

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Related Compounds

(1S)-1-(4-fluorophenyl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 97156209
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclobutanecarboxamide
CID 47468635
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97186489
(3aR,6aR)-5-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 50948704
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 51097706
(8aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 125439541
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methoxy-3-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171707629
2-ethoxy-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755930
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
(2S)-2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83193795
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 50985285
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 77096679

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50975999) is (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is CN1C[C@H]2CNC[C@@]2(C(=O)NCc2noc(-c3ccco3)n2)C1.
What is the InChIKey of (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is RXCMSEMTLHFURK-MEBBXXQBSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-20-7-10-5-16-8-15(10,9-20)14(21)17-6-12-18-13(23-19-12)11-3-2-4-22-11/h2-4,10,16H,5-9H2,1H3,(H,17,21)/t10-,15-/m1/s1.
What are the key properties of (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50975999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).