N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

C13H11N5O3 — CID 72937252

IUPACN-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(Cn2ncc3ccccc3c2=O)n1
InChIInChI=1S/C13H11N5O3/c1-14-12(19)11-16-10(21-17-11)7-18-13(20)9-5-3-2-4-8(9)6-15-18/h2-6H,7H2,1H3,(H,14,19)
InChIKeyNDMZUGMJQWDXDU-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.19
Rot. Bonds3

About N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 72937252) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID72937252
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC NameN-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(Cn2ncc3ccccc3c2=O)n1
InChIInChI=1S/C13H11N5O3/c1-14-12(19)11-16-10(21-17-11)7-18-13(20)9-5-3-2-4-8(9)6-15-18/h2-6H,7H2,1H3,(H,14,19)
InChIKeyNDMZUGMJQWDXDU-UHFFFAOYSA-N
XLogP0.19
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 72937252) is N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(Cn2ncc3ccccc3c2=O)n1.
What is the InChIKey of N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NDMZUGMJQWDXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-14-12(19)11-16-10(21-17-11)7-18-13(20)9-5-3-2-4-8(9)6-15-18/h2-6H,7H2,1H3,(H,14,19).
What are the key properties of N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(1-oxophthalazin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 72937252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).