4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile

C8H8N2O2 — CID 162376308

IUPAC4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile
SMILESN#Cc1cc([C@@H]2CCON2)co1
InChIInChI=1S/C8H8N2O2/c9-4-7-3-6(5-11-7)8-1-2-12-10-8/h3,5,8,10H,1-2H2/t8-/m0/s1
InChIKeyRWODYGPUBHLHTK-QMMMGPOBSA-N
MW164.16 g/mol
LogP1.12
Rot. Bonds1

About 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile

4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile (PubChem CID 162376308) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile.

Molecular Properties

Compound Name4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile
PubChem CID162376308
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile
SMILESN#Cc1cc([C@@H]2CCON2)co1
InChIInChI=1S/C8H8N2O2/c9-4-7-3-6(5-11-7)8-1-2-12-10-8/h3,5,8,10H,1-2H2/t8-/m0/s1
InChIKeyRWODYGPUBHLHTK-QMMMGPOBSA-N
XLogP1.12
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
CID 175447898
(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine;2,2,2-trifluoroacetic acid
CID 175877299
3-(2,2-Difluoroethoxy)-1-(2,5-dimethylfuran-3-yl)propan-1-amine
CID 103207488
1-(2,5-Dimethylfuran-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 113788169
4-(1-Amino-2,2,2-trifluoroethyl)furan-2-carbonitrile
CID 130000721
3-Amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile
CID 130000762
(3R)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile
CID 130606608
(3S)-3-amino-3-[5-(trifluoromethyl)furan-3-yl]propanenitrile
CID 130657274
1-(5-Methylfuran-3-yl)pentan-1-amine
CID 68070329
2-Amino-2-(5-methylfuran-3-yl)acetonitrile
CID 131430744
2-Amino-2-(2-butylfuran-3-yl)acetonitrile
CID 139712580
2-Amino-2-(2-propan-2-ylfuran-3-yl)acetonitrile
CID 139712613

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
The IUPAC name of 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile (CID 162376308) is 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile.
What is the SMILES notation for 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
The canonical SMILES for 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile is N#Cc1cc([C@@H]2CCON2)co1.
What is the InChIKey of 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
The InChIKey is RWODYGPUBHLHTK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-4-7-3-6(5-11-7)8-1-2-12-10-8/h3,5,8,10H,1-2H2/t8-/m0/s1.
What are the key properties of 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1,2-oxazolidin-3-yl]furan-2-carbonitrile is sourced from PubChem (CID 162376308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).