N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide

C12H13N3O4 — CID 110392914

IUPACN-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(C)o2)c(OC)c1
InChIInChI=1S/C12H13N3O4/c1-7-14-15-12(19-7)11(16)13-9-5-4-8(17-2)6-10(9)18-3/h4-6H,1-3H3,(H,13,16)
InChIKeyDOHOHYRGYFTVKC-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.65
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide

N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110392914) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110392914
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nnc(C)o2)c(OC)c1
InChIInChI=1S/C12H13N3O4/c1-7-14-15-12(19-7)11(16)13-9-5-4-8(17-2)6-10(9)18-3/h4-6H,1-3H3,(H,13,16)
InChIKeyDOHOHYRGYFTVKC-UHFFFAOYSA-N
XLogP1.65
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide (CID 110392914) is N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is COc1ccc(NC(=O)c2nnc(C)o2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is DOHOHYRGYFTVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-7-14-15-12(19-7)11(16)13-9-5-4-8(17-2)6-10(9)18-3/h4-6H,1-3H3,(H,13,16).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide?
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110392914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).