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

C10H11N3O — CID 6484110

IUPAC(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C10H11N3O/c11-7-10-12-9(13-14-10)6-8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKeyGQASRVLTKCPNCP-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.12
Rot. Bonds3

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

(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine (PubChem CID 6484110) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine
PubChem CID6484110
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine
SMILESNCc1nc(Cc2ccccc2)no1
InChIInChI=1S/C10H11N3O/c11-7-10-12-9(13-14-10)6-8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKeyGQASRVLTKCPNCP-UHFFFAOYSA-N
XLogP1.12
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine?
The IUPAC name of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine (CID 6484110) is (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine.
What is the SMILES notation for (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine?
The canonical SMILES for (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine is NCc1nc(Cc2ccccc2)no1.
What is the InChIKey of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine?
The InChIKey is GQASRVLTKCPNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-7-10-12-9(13-14-10)6-8-4-2-1-3-5-8/h1-5H,6-7,11H2.
What are the key properties of (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine?
(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine has a molecular weight of 189.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1,2,4-oxadiazol-5-yl)methanamine is sourced from PubChem (CID 6484110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).