1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile

C18H20N4O3S — CID 22069763

IUPAC1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile
SMILESCOCC1CN(c2ccc3nc(N4CCC(C#N)CC4)sc3c2)C(=O)O1
InChIInChI=1S/C18H20N4O3S/c1-24-11-14-10-22(18(23)25-14)13-2-3-15-16(8-13)26-17(20-15)21-6-4-12(9-19)5-7-21/h2-3,8,12,14H,4-7,10-11H2,1H3
InChIKeySVFRUPSLODYUFK-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.01
Rot. Bonds4

About 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile

1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile (PubChem CID 22069763) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile
PubChem CID22069763
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile
SMILESCOCC1CN(c2ccc3nc(N4CCC(C#N)CC4)sc3c2)C(=O)O1
InChIInChI=1S/C18H20N4O3S/c1-24-11-14-10-22(18(23)25-14)13-2-3-15-16(8-13)26-17(20-15)21-6-4-12(9-19)5-7-21/h2-3,8,12,14H,4-7,10-11H2,1H3
InChIKeySVFRUPSLODYUFK-UHFFFAOYSA-N
XLogP3.01
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile (CID 22069763) is 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile is COCC1CN(c2ccc3nc(N4CCC(C#N)CC4)sc3c2)C(=O)O1.
What is the InChIKey of 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile?
The InChIKey is SVFRUPSLODYUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-24-11-14-10-22(18(23)25-14)13-2-3-15-16(8-13)26-17(20-15)21-6-4-12(9-19)5-7-21/h2-3,8,12,14H,4-7,10-11H2,1H3.
What are the key properties of 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile?
1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile has a molecular weight of 372.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(methoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3-benzothiazol-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 22069763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).