N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

C25H24ClN3O4 — CID 46671505

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-3-31-20-10-6-18(7-11-20)25-27-23(33-28-25)14-15-24(30)29(2)16-21-12-13-22(32-21)17-4-8-19(26)9-5-17/h4-13H,3,14-16H2,1-2H3
InChIKeyXJJHQTGBUCYTSZ-UHFFFAOYSA-N
MW465.94 g/mol
LogP5.64
Rot. Bonds9

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 46671505) has the molecular formula C25H24ClN3O4 and a molecular weight of 465.94 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID46671505
Molecular FormulaC25H24ClN3O4
Molecular Weight465.94 g/mol
Exact Mass465.15
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)n2)cc1
InChIInChI=1S/C25H24ClN3O4/c1-3-31-20-10-6-18(7-11-20)25-27-23(33-28-25)14-15-24(30)29(2)16-21-12-13-22(32-21)17-4-8-19(26)9-5-17/h4-13H,3,14-16H2,1-2H3
InChIKeyXJJHQTGBUCYTSZ-UHFFFAOYSA-N
XLogP5.64
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.94
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37411312
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55569678
2-(4-chloro-2-fluorophenyl)-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylacetamide
CID 100751479
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31848008
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31746270
4-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]butanoic acid
CID 119172916
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361
N-(3-amino-4-methylpentyl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide;hydrochloride
CID 119658015
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31666101
N-(4-ethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 15989742
N-[2-(diethylamino)-2-oxoethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 55518191

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 46671505) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CCOc1ccc(-c2noc(CCC(=O)N(C)Cc3ccc(-c4ccc(Cl)cc4)o3)n2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is XJJHQTGBUCYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O4/c1-3-31-20-10-6-18(7-11-20)25-27-23(33-28-25)14-15-24(30)29(2)16-21-12-13-22(32-21)17-4-8-19(26)9-5-17/h4-13H,3,14-16H2,1-2H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 465.94 g/mol, XLogP of 5.64, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 46671505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).