3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one

C10H11N3O2 — CID 12858149

IUPAC3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one
SMILESCNc1ccccc1-c1nn(C)c(=O)o1
InChIInChI=1S/C10H11N3O2/c1-11-8-6-4-3-5-7(8)9-12-13(2)10(14)15-9/h3-6,11H,1-2H3
InChIKeyTVYPCTSPAMFBRF-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.08
Rot. Bonds2

About 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one

3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 12858149) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one
PubChem CID12858149
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one
SMILESCNc1ccccc1-c1nn(C)c(=O)o1
InChIInChI=1S/C10H11N3O2/c1-11-8-6-4-3-5-7(8)9-12-13(2)10(14)15-9/h3-6,11H,1-2H3
InChIKeyTVYPCTSPAMFBRF-UHFFFAOYSA-N
XLogP1.08
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one (CID 12858149) is 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one is CNc1ccccc1-c1nn(C)c(=O)o1.
What is the InChIKey of 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one?
The InChIKey is TVYPCTSPAMFBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-11-8-6-4-3-5-7(8)9-12-13(2)10(14)15-9/h3-6,11H,1-2H3.
What are the key properties of 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one?
3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 205.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-(methylamino)phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 12858149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).