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

C24H22N4O4 — CID 86885476

IUPACN-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)n1
InChIInChI=1S/C24H22N4O4/c1-2-21-27-24(32-28-21)18-7-5-16(6-8-18)13-14-25-22(29)17-9-11-19(12-10-17)26-23(30)20-4-3-15-31-20/h3-12,15H,2,13-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyFYLDMXGSFWIADL-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.12
Rot. Bonds8

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

N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 86885476) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID86885476
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCCc1noc(-c2ccc(CCNC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)n1
InChIInChI=1S/C24H22N4O4/c1-2-21-27-24(32-28-21)18-7-5-16(6-8-18)13-14-25-22(29)17-9-11-19(12-10-17)26-23(30)20-4-3-15-31-20/h3-12,15H,2,13-14H2,1H3,(H,25,29)(H,26,30)
InChIKeyFYLDMXGSFWIADL-UHFFFAOYSA-N
XLogP4.12
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 46267007
3-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317568
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317564
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 17229741
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 86885371
N-[4-[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53103254
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 119317584
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
N-[4-(2-thiophen-2-ylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17397396

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 86885476) is N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide is CCc1noc(-c2ccc(CCNC(=O)c3ccc(NC(=O)c4ccco4)cc3)cc2)n1.
What is the InChIKey of N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is FYLDMXGSFWIADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-2-21-27-24(32-28-21)18-7-5-16(6-8-18)13-14-25-22(29)17-9-11-19(12-10-17)26-23(30)20-4-3-15-31-20/h3-12,15H,2,13-14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86885476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).