1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

C22H21N5O4 — CID 99792433

IUPAC1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)o1
InChIInChI=1S/C22H21N5O4/c1-14-24-18(13-23)22(31-14)27-10-8-15(9-11-27)20(28)25-16-4-6-17(7-5-16)26-21(29)19-3-2-12-30-19/h2-7,12,15H,8-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyPMZXTGOLGVQWKO-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide

1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 99792433) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
PubChem CID99792433
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESCc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)o1
InChIInChI=1S/C22H21N5O4/c1-14-24-18(13-23)22(31-14)27-10-8-15(9-11-27)20(28)25-16-4-6-17(7-5-16)26-21(29)19-3-2-12-30-19/h2-7,12,15H,8-11H2,1H3,(H,25,28)(H,26,29)
InChIKeyPMZXTGOLGVQWKO-UHFFFAOYSA-N
XLogP3.56
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46600403
N-(4-tert-butylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600715
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 100685607
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 55629250
N-[4-(cyclohexanecarbonylamino)phenyl]furan-2-carboxamide
CID 3149814
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
1-(5-cyano-2-pyridinyl)-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46509482
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]piperidine-4-carboxamide
CID 55854504
N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 34749875
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]phenyl]piperidine-4-carboxamide
CID 166328641
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 46437822

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 99792433) is 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)CC2)o1.
What is the InChIKey of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is PMZXTGOLGVQWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-14-24-18(13-23)22(31-14)27-10-8-15(9-11-27)20(28)25-16-4-6-17(7-5-16)26-21(29)19-3-2-12-30-19/h2-7,12,15H,8-11H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide?
1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-methyl-1,3-oxazol-5-yl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 99792433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).