N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide

C18H20N4O3 — CID 39976624

IUPACN-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C18H20N4O3/c1-3-13-7-4-5-8-14(13)19-16(23)11-22(2)12-17-20-18(21-25-17)15-9-6-10-24-15/h4-10H,3,11-12H2,1-2H3,(H,19,23)
InChIKeyWZSNDHCOGNWYAY-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.96
Rot. Bonds7

About N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide

N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (PubChem CID 39976624) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
PubChem CID39976624
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1nc(-c2ccco2)no1
InChIInChI=1S/C18H20N4O3/c1-3-13-7-4-5-8-14(13)19-16(23)11-22(2)12-17-20-18(21-25-17)15-9-6-10-24-15/h4-10H,3,11-12H2,1-2H3,(H,19,23)
InChIKeyWZSNDHCOGNWYAY-UHFFFAOYSA-N
XLogP2.96
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide (CID 39976624) is N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)Cc1nc(-c2ccco2)no1.
What is the InChIKey of N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
The InChIKey is WZSNDHCOGNWYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-13-7-4-5-8-14(13)19-16(23)11-22(2)12-17-20-18(21-25-17)15-9-6-10-24-15/h4-10H,3,11-12H2,1-2H3,(H,19,23).
What are the key properties of N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide?
N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide has a molecular weight of 340.38 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide is sourced from PubChem (CID 39976624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).