(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

C15H14N4O — CID 104898760

IUPAC(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCc1cnccc1-c1noc([C@@H](N)c2ccccc2)n1
InChIInChI=1S/C15H14N4O/c1-10-9-17-8-7-12(10)14-18-15(20-19-14)13(16)11-5-3-2-4-6-11/h2-9,13H,16H2,1H3/t13-/m0/s1
InChIKeyVQXOFXPGKHBTBQ-ZDUSSCGKSA-N
MW266.30 g/mol
LogP2.49
Rot. Bonds3

About (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine

(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (PubChem CID 104898760) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.

Molecular Properties

Compound Name(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
PubChem CID104898760
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
SMILESCc1cnccc1-c1noc([C@@H](N)c2ccccc2)n1
InChIInChI=1S/C15H14N4O/c1-10-9-17-8-7-12(10)14-18-15(20-19-14)13(16)11-5-3-2-4-6-11/h2-9,13H,16H2,1H3/t13-/m0/s1
InChIKeyVQXOFXPGKHBTBQ-ZDUSSCGKSA-N
XLogP2.49
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The IUPAC name of (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine (CID 104898760) is (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine.
What is the SMILES notation for (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The canonical SMILES for (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is Cc1cnccc1-c1noc([C@@H](N)c2ccccc2)n1.
What is the InChIKey of (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
The InChIKey is VQXOFXPGKHBTBQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-9-17-8-7-12(10)14-18-15(20-19-14)13(16)11-5-3-2-4-6-11/h2-9,13H,16H2,1H3/t13-/m0/s1.
What are the key properties of (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine?
(S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine has a molecular weight of 266.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine is sourced from PubChem (CID 104898760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).