1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

C20H20N4O3 — CID 166328689

IUPAC1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCCc1nc(-c2cccc(NC(=O)c3cccc(C(=O)N(C)C)c3)c2)no1
InChIInChI=1S/C20H20N4O3/c1-4-17-22-18(23-27-17)13-7-6-10-16(12-13)21-19(25)14-8-5-9-15(11-14)20(26)24(2)3/h5-12H,4H2,1-3H3,(H,21,25)
InChIKeyFDCWPNRRYRDYNM-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.25
Rot. Bonds5

About 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide

1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (PubChem CID 166328689) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
PubChem CID166328689
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
SMILESCCc1nc(-c2cccc(NC(=O)c3cccc(C(=O)N(C)C)c3)c2)no1
InChIInChI=1S/C20H20N4O3/c1-4-17-22-18(23-27-17)13-7-6-10-16(12-13)21-19(25)14-8-5-9-15(11-14)20(26)24(2)3/h5-12H,4H2,1-3H3,(H,21,25)
InChIKeyFDCWPNRRYRDYNM-UHFFFAOYSA-N
XLogP3.25
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

1,1-dimethyl-3-[3-(5-propyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 54073306
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 146148767
2-ethoxy-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041700
N-[5-[[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 53057012
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
1-(3-acetylphenyl)-3-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321334
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 21358511
N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 53041688
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N-[3-(dimethylcarbamoyl)phenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 32850824
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780349
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide (CID 166328689) is 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is CCc1nc(-c2cccc(NC(=O)c3cccc(C(=O)N(C)C)c3)c2)no1.
What is the InChIKey of 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
The InChIKey is FDCWPNRRYRDYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-17-22-18(23-27-17)13-7-6-10-16(12-13)21-19(25)14-8-5-9-15(11-14)20(26)24(2)3/h5-12H,4H2,1-3H3,(H,21,25).
What are the key properties of 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide?
1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-N,3-N-dimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 166328689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).