3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one

C12H17N5O2S — CID 58430563

IUPAC3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nnc(N2CCN3CCCC3C2)s1
InChIInChI=1S/C12H17N5O2S/c18-12-17(6-7-19-12)11-14-13-10(20-11)16-5-4-15-3-1-2-9(15)8-16/h9H,1-8H2
InChIKeyNZOSODVDKINCFE-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.78
Rot. Bonds2

About 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one

3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one (PubChem CID 58430563) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one
PubChem CID58430563
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nnc(N2CCN3CCCC3C2)s1
InChIInChI=1S/C12H17N5O2S/c18-12-17(6-7-19-12)11-14-13-10(20-11)16-5-4-15-3-1-2-9(15)8-16/h9H,1-8H2
InChIKeyNZOSODVDKINCFE-UHFFFAOYSA-N
XLogP0.78
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one (CID 58430563) is 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one is O=C1OCCN1c1nnc(N2CCN3CCCC3C2)s1.
What is the InChIKey of 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is NZOSODVDKINCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c18-12-17(6-7-19-12)11-14-13-10(20-11)16-5-4-15-3-1-2-9(15)8-16/h9H,1-8H2.
What are the key properties of 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one?
3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 295.37 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1,3,4-thiadiazol-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58430563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).