[(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone

C15H17N3O4S — CID 131687546

IUPAC[(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone
SMILESO=C(C1=NO[C@@H]2CN(C(=O)c3cccs3)C[C@H]12)N1CCOCC1
InChIInChI=1S/C15H17N3O4S/c19-14(12-2-1-7-23-12)18-8-10-11(9-18)22-16-13(10)15(20)17-3-5-21-6-4-17/h1-2,7,10-11H,3-6,8-9H2/t10-,11+/m0/s1
InChIKeyFSUZXLNPFDVYHZ-WDEREUQCSA-N
MW335.39 g/mol
LogP0.43
Rot. Bonds2

About [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone

[(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone (PubChem CID 131687546) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone
PubChem CID131687546
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name[(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone
SMILESO=C(C1=NO[C@@H]2CN(C(=O)c3cccs3)C[C@H]12)N1CCOCC1
InChIInChI=1S/C15H17N3O4S/c19-14(12-2-1-7-23-12)18-8-10-11(9-18)22-16-13(10)15(20)17-3-5-21-6-4-17/h1-2,7,10-11H,3-6,8-9H2/t10-,11+/m0/s1
InChIKeyFSUZXLNPFDVYHZ-WDEREUQCSA-N
XLogP0.43
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 125423656
N-(4-morpholin-4-ylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511231
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511031
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[2-(morpholin-4-ylsulfonylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 126822086
[1-(morpholine-4-carbonyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394387
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(1-morpholin-4-yl-1-oxopropan-2-yl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 55379719

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone (CID 131687546) is [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone is O=C(C1=NO[C@@H]2CN(C(=O)c3cccs3)C[C@H]12)N1CCOCC1.
What is the InChIKey of [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone?
The InChIKey is FSUZXLNPFDVYHZ-WDEREUQCSA-N. The full InChI is InChI=1S/C15H17N3O4S/c19-14(12-2-1-7-23-12)18-8-10-11(9-18)22-16-13(10)15(20)17-3-5-21-6-4-17/h1-2,7,10-11H,3-6,8-9H2/t10-,11+/m0/s1.
What are the key properties of [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone?
[(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone has a molecular weight of 335.39 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-3-(morpholine-4-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131687546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).