[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

C15H14N4OS — CID 114324949

IUPAC[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(CSc3ccccc3)no2)ccn1
InChIInChI=1S/C15H14N4OS/c16-9-12-8-11(6-7-17-12)15-18-14(19-20-15)10-21-13-4-2-1-3-5-13/h1-8H,9-10,16H2
InChIKeyFDZLNUOUDZCCJN-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.88
Rot. Bonds5

About [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine

[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (PubChem CID 114324949) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
PubChem CID114324949
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nc(CSc3ccccc3)no2)ccn1
InChIInChI=1S/C15H14N4OS/c16-9-12-8-11(6-7-17-12)15-18-14(19-20-15)10-21-13-4-2-1-3-5-13/h1-8H,9-10,16H2
InChIKeyFDZLNUOUDZCCJN-UHFFFAOYSA-N
XLogP2.88
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324878
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
[4-[3-(naphthalen-1-yloxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 167848574
4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66067859
5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
3-[(4-bromophenyl)sulfanylmethyl]-5-phenyl-1,2,4-oxadiazole
CID 54095590
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104676807
[4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324906
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 65142179
N-hydroxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 76853308
4-methyl-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65144041
4-methyl-2-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]thiophen-3-amine
CID 114915937

Frequently Asked Questions

What is the IUPAC name of [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine (CID 114324949) is [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is NCc1cc(-c2nc(CSc3ccccc3)no2)ccn1.
What is the InChIKey of [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
The InChIKey is FDZLNUOUDZCCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-9-12-8-11(6-7-17-12)15-18-14(19-20-15)10-21-13-4-2-1-3-5-13/h1-8H,9-10,16H2.
What are the key properties of [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine?
[4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine has a molecular weight of 298.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 114324949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).