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

C9H10N4O — CID 82468792

IUPAC5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCNc1cccc(-c2nnc(N)o2)c1
InChIInChI=1S/C9H10N4O/c1-11-7-4-2-3-6(5-7)8-12-13-9(10)14-8/h2-5,11H,1H3,(H2,10,13)
InChIKeyAMLLOXCKOLZULV-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.36
Rot. Bonds2

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

5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 82468792) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID82468792
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCNc1cccc(-c2nnc(N)o2)c1
InChIInChI=1S/C9H10N4O/c1-11-7-4-2-3-6(5-7)8-12-13-9(10)14-8/h2-5,11H,1H3,(H2,10,13)
InChIKeyAMLLOXCKOLZULV-UHFFFAOYSA-N
XLogP1.36
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine (CID 82468792) is 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine is CNc1cccc(-c2nnc(N)o2)c1.
What is the InChIKey of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is AMLLOXCKOLZULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-11-7-4-2-3-6(5-7)8-12-13-9(10)14-8/h2-5,11H,1H3,(H2,10,13).
What are the key properties of 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine?
5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 190.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 82468792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).