5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide

C20H19N7O5 — CID 118984717

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C20H19N7O5/c1-10(2)16(20-24-18(27-32-20)17-21-9-22-25-17)23-19(28)12-8-14(31-26-12)11-3-4-13-15(7-11)30-6-5-29-13/h3-4,7-10,16H,5-6H2,1-2H3,(H,23,28)(H,21,22,25)
InChIKeyTUIUUQQFQOHXBP-UHFFFAOYSA-N
MW437.42 g/mol
LogP2.41
Rot. Bonds6

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 118984717) has the molecular formula C20H19N7O5 and a molecular weight of 437.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide
PubChem CID118984717
Molecular FormulaC20H19N7O5
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)C(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C20H19N7O5/c1-10(2)16(20-24-18(27-32-20)17-21-9-22-25-17)23-19(28)12-8-14(31-26-12)11-3-4-13-15(7-11)30-6-5-29-13/h3-4,7-10,16H,5-6H2,1-2H3,(H,23,28)(H,21,22,25)
InChIKeyTUIUUQQFQOHXBP-UHFFFAOYSA-N
XLogP2.41
TPSA154.08 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide (CID 118984717) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide is CC(C)C(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)on1)c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is TUIUUQQFQOHXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O5/c1-10(2)16(20-24-18(27-32-20)17-21-9-22-25-17)23-19(28)12-8-14(31-26-12)11-3-4-13-15(7-11)30-6-5-29-13/h3-4,7-10,16H,5-6H2,1-2H3,(H,23,28)(H,21,22,25).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 437.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 118984717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).