N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine

C9H9N3O — CID 12728457

IUPACN-methyl-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H9N3O/c1-10-9-11-8(12-13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKeyASCRDDKMHIKBII-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.78
Rot. Bonds2

About N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine

N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine (PubChem CID 12728457) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-1,2,4-oxadiazol-5-amine
PubChem CID12728457
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC NameN-methyl-3-phenyl-1,2,4-oxadiazol-5-amine
SMILESCNc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H9N3O/c1-10-9-11-8(12-13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKeyASCRDDKMHIKBII-UHFFFAOYSA-N
XLogP1.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine (CID 12728457) is N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine is CNc1nc(-c2ccccc2)no1.
What is the InChIKey of N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ASCRDDKMHIKBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-10-9-11-8(12-13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12).
What are the key properties of N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine?
N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine has a molecular weight of 175.19 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 12728457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).