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

C10H10N4O2 — CID 102790321

IUPAC5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNc1ccccc1-c1nc(C(N)=O)no1
InChIInChI=1S/C10H10N4O2/c1-12-7-5-3-2-4-6(7)10-13-9(8(11)15)14-16-10/h2-5,12H,1H3,(H2,11,15)
InChIKeyAKIDHXTWSSITIB-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds3

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

5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790321) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790321
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide
SMILESCNc1ccccc1-c1nc(C(N)=O)no1
InChIInChI=1S/C10H10N4O2/c1-12-7-5-3-2-4-6(7)10-13-9(8(11)15)14-16-10/h2-5,12H,1H3,(H2,11,15)
InChIKeyAKIDHXTWSSITIB-UHFFFAOYSA-N
XLogP0.88
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790321) is 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide is CNc1ccccc1-c1nc(C(N)=O)no1.
What is the InChIKey of 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is AKIDHXTWSSITIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-12-7-5-3-2-4-6(7)10-13-9(8(11)15)14-16-10/h2-5,12H,1H3,(H2,11,15).
What are the key properties of 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide?
5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 218.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)phenyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).