1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C21H22N4O3S — CID 55628888

IUPAC1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C21H22N4O3S/c1-2-24(14-16-5-4-12-29-16)20(26)15-7-9-25(10-8-15)21-17(13-22)23-19(28-21)18-6-3-11-27-18/h3-6,11-12,15H,2,7-10,14H2,1H3
InChIKeyMZDJETGGUIYSSC-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.13
Rot. Bonds6

About 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55628888) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55628888
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccs1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1
InChIInChI=1S/C21H22N4O3S/c1-2-24(14-16-5-4-12-29-16)20(26)15-7-9-25(10-8-15)21-17(13-22)23-19(28-21)18-6-3-11-27-18/h3-6,11-12,15H,2,7-10,14H2,1H3
InChIKeyMZDJETGGUIYSSC-UHFFFAOYSA-N
XLogP4.13
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 55628888) is 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is CCN(Cc1cccs1)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1.
What is the InChIKey of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MZDJETGGUIYSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-2-24(14-16-5-4-12-29-16)20(26)15-7-9-25(10-8-15)21-17(13-22)23-19(28-21)18-6-3-11-27-18/h3-6,11-12,15H,2,7-10,14H2,1H3.
What are the key properties of 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-ethyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55628888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).