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

C22H21ClN4O3 — CID 46600889

IUPACN-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O3/c1-14(16-4-2-5-17(23)12-16)25-20(28)15-7-9-27(10-8-15)22-18(13-24)26-21(30-22)19-6-3-11-29-19/h2-6,11-12,14-15H,7-10H2,1H3,(H,25,28)
InChIKeyZOHANPDUTQWQCK-UHFFFAOYSA-N
MW424.89 g/mol
LogP4.55
Rot. Bonds5

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

N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (PubChem CID 46600889) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
PubChem CID46600889
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O3/c1-14(16-4-2-5-17(23)12-16)25-20(28)15-7-9-27(10-8-15)22-18(13-24)26-21(30-22)19-6-3-11-29-19/h2-6,11-12,14-15H,7-10H2,1H3,(H,25,28)
InChIKeyZOHANPDUTQWQCK-UHFFFAOYSA-N
XLogP4.55
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[1-[4-(2-methylpropyl)phenyl]ethyl]piperidine-4-carboxamide
CID 43062787
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 55631863
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-(furan-2-yl)-1,3-oxazol-5-yl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 46437822
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]piperidine-4-carboxamide
CID 49394486
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 43072707
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46600403
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[3-[(2-methoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 46436267
N-(3-chloro-2,6-diethylphenyl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46436027
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 34405578
N-[1-(4-bromophenyl)ethyl]-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetamide
CID 43061622
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 46436242

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide (CID 46600889) is N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
The InChIKey is ZOHANPDUTQWQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-14(16-4-2-5-17(23)12-16)25-20(28)15-7-9-27(10-8-15)22-18(13-24)26-21(30-22)19-6-3-11-29-19/h2-6,11-12,14-15H,7-10H2,1H3,(H,25,28).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46600889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).