N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide

C11H12N4O2 — CID 102790656

IUPACN-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2ccc(NC)cc2)n1
InChIInChI=1S/C11H12N4O2/c1-12-8-5-3-7(4-6-8)11-14-9(15-17-11)10(16)13-2/h3-6,12H,1-2H3,(H,13,16)
InChIKeyMULAEJSLHUZKNN-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.14
Rot. Bonds3

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

N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790656) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790656
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(-c2ccc(NC)cc2)n1
InChIInChI=1S/C11H12N4O2/c1-12-8-5-3-7(4-6-8)11-14-9(15-17-11)10(16)13-2/h3-6,12H,1-2H3,(H,13,16)
InChIKeyMULAEJSLHUZKNN-UHFFFAOYSA-N
XLogP1.14
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-hydroxyethylamino)phenyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790538
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
N-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698800
4-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 44560734
N-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632658
methyl 5-(4-bromophenyl)-1,2,4-oxadiazole-3-carboxylate
CID 175668866
N-cycloheptyl-5-(4-methylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 4175475
N-[4-(methylcarbamoylamino)phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134050975
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790600
N-methyl-4-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]aniline
CID 113442813
5-(2-amino-5-methylthiophen-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790421
N-[4-[4-[3-[4-[4-(methylamino)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]phenyl]-8-oxononanamide
CID 23379886

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790656) is N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(-c2ccc(NC)cc2)n1.
What is the InChIKey of N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is MULAEJSLHUZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-12-8-5-3-7(4-6-8)11-14-9(15-17-11)10(16)13-2/h3-6,12H,1-2H3,(H,13,16).
What are the key properties of N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).