4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide

C22H30N6O3 — CID 78888422

IUPAC4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1CCCCC1
InChIInChI=1S/C22H30N6O3/c1-22(2,28-8-4-3-5-9-28)16-24-21(29)27-12-10-26(11-13-27)20-17(15-23)25-19(31-20)18-7-6-14-30-18/h6-7,14H,3-5,8-13,16H2,1-2H3,(H,24,29)
InChIKeyWTNIQJZWDSVWBQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.90
Rot. Bonds5

About 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide

4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 78888422) has the molecular formula C22H30N6O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide
PubChem CID78888422
Molecular FormulaC22H30N6O3
Molecular Weight426.52 g/mol
Exact Mass426.24
IUPAC Name4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1CCCCC1
InChIInChI=1S/C22H30N6O3/c1-22(2,28-8-4-3-5-9-28)16-24-21(29)27-12-10-26(11-13-27)20-17(15-23)25-19(31-20)18-7-6-14-30-18/h6-7,14H,3-5,8-13,16H2,1-2H3,(H,24,29)
InChIKeyWTNIQJZWDSVWBQ-UHFFFAOYSA-N
XLogP2.90
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide (CID 78888422) is 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide is CC(C)(CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)N1CCCCC1.
What is the InChIKey of 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is WTNIQJZWDSVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O3/c1-22(2,28-8-4-3-5-9-28)16-24-21(29)27-12-10-26(11-13-27)20-17(15-23)25-19(31-20)18-7-6-14-30-18/h6-7,14H,3-5,8-13,16H2,1-2H3,(H,24,29).
What are the key properties of 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide?
4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 78888422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).