(3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

C15H15N3O3S — CID 124893542

IUPAC(3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)no1
InChIInChI=1S/C15H15N3O3S/c1-9-6-11(16-21-9)15(20)17-4-2-12-13(17)7-14(19)18(12)10-3-5-22-8-10/h3,5-6,8,12-13H,2,4,7H2,1H3/t12-,13+/m1/s1
InChIKeyMMUMESFOYYERQY-OLZOCXBDSA-N
MW317.37 g/mol
LogP2.06
Rot. Bonds2

About (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one

(3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (PubChem CID 124893542) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.

Molecular Properties

Compound Name(3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
PubChem CID124893542
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
SMILESCc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)no1
InChIInChI=1S/C15H15N3O3S/c1-9-6-11(16-21-9)15(20)17-4-2-12-13(17)7-14(19)18(12)10-3-5-22-8-10/h3,5-6,8,12-13H,2,4,7H2,1H3/t12-,13+/m1/s1
InChIKeyMMUMESFOYYERQY-OLZOCXBDSA-N
XLogP2.06
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one with MolForge

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Related Compounds

(3aR,6aS)-1-(5-methylpyrazine-2-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 124913216
(3aS,6aR)-1-(2-methylfuran-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97378477
(3aR,6aS)-1-(2-methylbenzoyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 98777156
(3aS,6aR)-1-(pyridazine-4-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97403914
(3aS,6aR)-1-(3-fluorobenzoyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 97386390
4-pyrimidin-5-yl-1-(thiophene-3-carbonyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 134078174
[(3aS,6aS)-1-methyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 125210118
(3aS,6aR)-1-[2-(3-fluorophenyl)acetyl]-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 98777155
[(3aR,6aS)-1-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97458871
2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 68602820
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 127600781
[(3aR,6aS)-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97459305

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The IUPAC name of (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one (CID 124893542) is (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one.
What is the SMILES notation for (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The canonical SMILES for (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3c2ccsc2)no1.
What is the InChIKey of (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
The InChIKey is MMUMESFOYYERQY-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-6-11(16-21-9)15(20)17-4-2-12-13(17)7-14(19)18(12)10-3-5-22-8-10/h3,5-6,8,12-13H,2,4,7H2,1H3/t12-,13+/m1/s1.
What are the key properties of (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one?
(3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one has a molecular weight of 317.37 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-1-(5-methyl-1,2-oxazole-3-carbonyl)-4-thiophen-3-yl-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one is sourced from PubChem (CID 124893542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).