N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide

C25H24N4O3 — CID 46296122

IUPACN-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)cc2)CC1
InChIInChI=1S/C25H24N4O3/c1-17-11-13-29(14-12-17)21-9-7-18(8-10-21)23-27-25(32-28-23)19-4-2-5-20(16-19)26-24(30)22-6-3-15-31-22/h2-10,15-17H,11-14H2,1H3,(H,26,30)
InChIKeyXRDJRRNUMXHCSB-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.49
Rot. Bonds5

About N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide

N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 46296122) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
PubChem CID46296122
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)cc2)CC1
InChIInChI=1S/C25H24N4O3/c1-17-11-13-29(14-12-17)21-9-7-18(8-10-21)23-27-25(32-28-23)19-4-2-5-20(16-19)26-24(30)22-6-3-15-31-22/h2-10,15-17H,11-14H2,1H3,(H,26,30)
InChIKeyXRDJRRNUMXHCSB-UHFFFAOYSA-N
XLogP5.49
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53075365
N-[(1R)-1-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723591
N-[3-[4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53064623
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53138548
3-[4-(4-methylpiperidin-1-yl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 50769405
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 46390874
N-[(2R)-1-(furan-2-yl)propan-2-yl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057357
N-[(1S)-1-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 92723590
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (CID 46296122) is N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is CC1CCN(c2ccc(-c3noc(-c4cccc(NC(=O)c5ccco5)c4)n3)cc2)CC1.
What is the InChIKey of N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
The InChIKey is XRDJRRNUMXHCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-17-11-13-29(14-12-17)21-9-7-18(8-10-21)23-27-25(32-28-23)19-4-2-5-20(16-19)26-24(30)22-6-3-15-31-22/h2-10,15-17H,11-14H2,1H3,(H,26,30).
What are the key properties of N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide?
N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46296122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).