(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

C9H9N3O — CID 4894507

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKeyQFBMJBDECSEYCZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.20
Rot. Bonds2

About (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine

(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 4894507) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID4894507
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(-c2ccccc2)no1
InChIInChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKeyQFBMJBDECSEYCZ-UHFFFAOYSA-N
XLogP1.20
TPSA64.94 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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine (CID 4894507) is (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine is NCc1nc(-c2ccccc2)no1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is QFBMJBDECSEYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-8-11-9(12-13-8)7-4-2-1-3-5-7/h1-5H,6,10H2.
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine?
(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 175.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 4894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).