N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide

C19H22N4O4 — CID 110621182

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCC(c3ccco3)N(C)C)n2)cc1
InChIInChI=1S/C19H22N4O4/c1-23(2)15(16-5-4-10-26-16)12-20-17(24)11-18-21-19(22-27-18)13-6-8-14(25-3)9-7-13/h4-10,15H,11-12H2,1-3H3,(H,20,24)
InChIKeyKIDBUENKMHSKND-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.30
Rot. Bonds8

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 110621182) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID110621182
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)NCC(c3ccco3)N(C)C)n2)cc1
InChIInChI=1S/C19H22N4O4/c1-23(2)15(16-5-4-10-26-16)12-20-17(24)11-18-21-19(22-27-18)13-6-8-14(25-3)9-7-13/h4-10,15H,11-12H2,1-3H3,(H,20,24)
InChIKeyKIDBUENKMHSKND-UHFFFAOYSA-N
XLogP2.30
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621188
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621185
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603
N-(4-acetamidobutyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110609812
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
N-[2-(2-fluorophenyl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110411078
3-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110302123
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 95236001
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 43019750
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylacetamide
CID 6625938

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 110621182) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is COc1ccc(-c2noc(CC(=O)NCC(c3ccco3)N(C)C)n2)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is KIDBUENKMHSKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-23(2)15(16-5-4-10-26-16)12-20-17(24)11-18-21-19(22-27-18)13-6-8-14(25-3)9-7-13/h4-10,15H,11-12H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 110621182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).