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

C14H17N3O3 — CID 162376566

IUPAC4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile
SMILESN#Cc1cc([C@@H]2CCON2C(=O)C2CCNCC2)co1
InChIInChI=1S/C14H17N3O3/c15-8-12-7-11(9-19-12)13-3-6-20-17(13)14(18)10-1-4-16-5-2-10/h7,9-10,13,16H,1-6H2/t13-/m0/s1
InChIKeyDAECMXCFJKHRRY-ZDUSSCGKSA-N
MW275.31 g/mol
LogP1.36
Rot. Bonds2

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

4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile (PubChem CID 162376566) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile.

Molecular Properties

Compound Name4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile
PubChem CID162376566
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile
SMILESN#Cc1cc([C@@H]2CCON2C(=O)C2CCNCC2)co1
InChIInChI=1S/C14H17N3O3/c15-8-12-7-11(9-19-12)13-3-6-20-17(13)14(18)10-1-4-16-5-2-10/h7,9-10,13,16H,1-6H2/t13-/m0/s1
InChIKeyDAECMXCFJKHRRY-ZDUSSCGKSA-N
XLogP1.36
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
The IUPAC name of 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile (CID 162376566) is 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile.
What is the SMILES notation for 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
The canonical SMILES for 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile is N#Cc1cc([C@@H]2CCON2C(=O)C2CCNCC2)co1.
What is the InChIKey of 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
The InChIKey is DAECMXCFJKHRRY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17N3O3/c15-8-12-7-11(9-19-12)13-3-6-20-17(13)14(18)10-1-4-16-5-2-10/h7,9-10,13,16H,1-6H2/t13-/m0/s1.
What are the key properties of 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile?
4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile is sourced from PubChem (CID 162376566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).