[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone

C14H19N3O3S — CID 97422362

IUPAC[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(N1CCCO1)[C@]12COC[C@H]1CN(Cc1nccs1)C2
InChIInChI=1S/C14H19N3O3S/c18-13(17-3-1-4-20-17)14-9-16(6-11(14)8-19-10-14)7-12-15-2-5-21-12/h2,5,11H,1,3-4,6-10H2/t11-,14-/m1/s1
InChIKeySNZDBMUVUANYOE-BXUZGUMPSA-N
MW309.39 g/mol
LogP0.76
Rot. Bonds3

About [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone

[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone (PubChem CID 97422362) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
PubChem CID97422362
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone
SMILESO=C(N1CCCO1)[C@]12COC[C@H]1CN(Cc1nccs1)C2
InChIInChI=1S/C14H19N3O3S/c18-13(17-3-1-4-20-17)14-9-16(6-11(14)8-19-10-14)7-12-15-2-5-21-12/h2,5,11H,1,3-4,6-10H2/t11-,14-/m1/s1
InChIKeySNZDBMUVUANYOE-BXUZGUMPSA-N
XLogP0.76
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone (CID 97422362) is [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone is O=C(N1CCCO1)[C@]12COC[C@H]1CN(Cc1nccs1)C2.
What is the InChIKey of [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is SNZDBMUVUANYOE-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-13(17-3-1-4-20-17)14-9-16(6-11(14)8-19-10-14)7-12-15-2-5-21-12/h2,5,11H,1,3-4,6-10H2/t11-,14-/m1/s1.
What are the key properties of [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone?
[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 309.39 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 97422362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).