5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one

C16H15N3O2 — CID 14951342

IUPAC5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1cccc(Nc2ccccc2-c2n[nH]c(=O)o2)c1C
InChIInChI=1S/C16H15N3O2/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15-18-19-16(20)21-15/h3-9,17H,1-2H3,(H,19,20)
InChIKeyMIPNEZPUXKXLGS-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.39
Rot. Bonds3

About 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one

5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 14951342) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID14951342
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESCc1cccc(Nc2ccccc2-c2n[nH]c(=O)o2)c1C
InChIInChI=1S/C16H15N3O2/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15-18-19-16(20)21-15/h3-9,17H,1-2H3,(H,19,20)
InChIKeyMIPNEZPUXKXLGS-UHFFFAOYSA-N
XLogP3.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one (CID 14951342) is 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one is Cc1cccc(Nc2ccccc2-c2n[nH]c(=O)o2)c1C.
What is the InChIKey of 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MIPNEZPUXKXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10-6-5-9-13(11(10)2)17-14-8-4-3-7-12(14)15-18-19-16(20)21-15/h3-9,17H,1-2H3,(H,19,20).
What are the key properties of 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dimethylanilino)phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 14951342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).