N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline

C11H13N3O — CID 51075886

IUPACN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1noc(CN(C)c2ccccc2)n1
InChIInChI=1S/C11H13N3O/c1-9-12-11(15-13-9)8-14(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyQZSDGXZJSRBJOF-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.01
Rot. Bonds3

About N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline

N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline (PubChem CID 51075886) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
PubChem CID51075886
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
SMILESCc1noc(CN(C)c2ccccc2)n1
InChIInChI=1S/C11H13N3O/c1-9-12-11(15-13-9)8-14(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyQZSDGXZJSRBJOF-UHFFFAOYSA-N
XLogP2.01
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The IUPAC name of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline (CID 51075886) is N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline.
What is the SMILES notation for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The canonical SMILES for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline is Cc1noc(CN(C)c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
The InChIKey is QZSDGXZJSRBJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9-12-11(15-13-9)8-14(2)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline?
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline has a molecular weight of 203.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline is sourced from PubChem (CID 51075886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).