3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine

C24H24N6O3S — CID 59472422

IUPAC3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)C5CCOC5)cc4)cnc3N)o2)cc1
InChIInChI=1S/C24H24N6O3S/c1-26-12-15-2-4-17(5-3-15)23-29-30-24(33-23)21-22(25)27-13-20(28-21)16-6-8-18(9-7-16)34(31)19-10-11-32-14-19/h2-9,13,19,26H,10-12,14H2,1H3,(H2,25,27)
InChIKeyVDCZEQSAHAORNU-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.06
Rot. Bonds7

About 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine

3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine (PubChem CID 59472422) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine
PubChem CID59472422
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)C5CCOC5)cc4)cnc3N)o2)cc1
InChIInChI=1S/C24H24N6O3S/c1-26-12-15-2-4-17(5-3-15)23-29-30-24(33-23)21-22(25)27-13-20(28-21)16-6-8-18(9-7-16)34(31)19-10-11-32-14-19/h2-9,13,19,26H,10-12,14H2,1H3,(H2,25,27)
InChIKeyVDCZEQSAHAORNU-UHFFFAOYSA-N
XLogP3.06
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine?
The IUPAC name of 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine (CID 59472422) is 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)C5CCOC5)cc4)cnc3N)o2)cc1.
What is the InChIKey of 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine?
The InChIKey is VDCZEQSAHAORNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c1-26-12-15-2-4-17(5-3-15)23-29-30-24(33-23)21-22(25)27-13-20(28-21)16-6-8-18(9-7-16)34(31)19-10-11-32-14-19/h2-9,13,19,26H,10-12,14H2,1H3,(H2,25,27).
What are the key properties of 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine?
3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine has a molecular weight of 476.56 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfinyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 59472422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).