[(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C15H22N2O4 — CID 133139569

IUPAC[(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](OCC(C)C)[C@@H]3COC[C@@H]32)no1
InChIInChI=1S/C15H22N2O4/c1-9(2)6-20-14-5-17(13-8-19-7-11(13)14)15(18)12-4-10(3)21-16-12/h4,9,11,13-14H,5-8H2,1-3H3/t11-,13+,14-/m1/s1
InChIKeyFJRNFDWPPBUFKF-KWCYVHTRSA-N
MW294.35 g/mol
LogP1.50
Rot. Bonds4

About [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 133139569) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID133139569
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C[C@@H](OCC(C)C)[C@@H]3COC[C@@H]32)no1
InChIInChI=1S/C15H22N2O4/c1-9(2)6-20-14-5-17(13-8-19-7-11(13)14)15(18)12-4-10(3)21-16-12/h4,9,11,13-14H,5-8H2,1-3H3/t11-,13+,14-/m1/s1
InChIKeyFJRNFDWPPBUFKF-KWCYVHTRSA-N
XLogP1.50
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone with MolForge

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Related Compounds

[(3S,3aS,6aR)-3-(cyclopropylmethoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 133142210
[(3aS,5S,7aS)-5-(2-methylpropoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 98777466
[(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
[(3S,3aS,6aR)-3-ethoxy-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133145120
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 79560105
[(3R,3aR,7aS)-3-(pyridin-2-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 133139604
[(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
[2-(2-chloropropyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 112748514
[2-(aminomethyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
CID 119633410
[(3R,3aS,7aR)-3-(pyridin-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155840136
(4-hydroxy-1,2-oxazolidin-2-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 130522251
[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129447811

Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 133139569) is [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2C[C@@H](OCC(C)C)[C@@H]3COC[C@@H]32)no1.
What is the InChIKey of [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is FJRNFDWPPBUFKF-KWCYVHTRSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)6-20-14-5-17(13-8-19-7-11(13)14)15(18)12-4-10(3)21-16-12/h4,9,11,13-14H,5-8H2,1-3H3/t11-,13+,14-/m1/s1.
What are the key properties of [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6aR)-3-(2-methylpropoxy)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 133139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).