N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine

C22H21N5O3S — CID 152850768

IUPACN-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3C)o2)cc1
InChIInChI=1S/C22H21N5O3S/c1-14-20(22-27-26-21(30-22)17-6-4-15(5-7-17)12-23-2)25-19(13-24-14)16-8-10-18(11-9-16)31(3,28)29/h4-11,13,23H,12H2,1-3H3
InChIKeyTVFPCEDLUDQVQU-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.29
Rot. Bonds6

About N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine

N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine (PubChem CID 152850768) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
PubChem CID152850768
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC NameN-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3C)o2)cc1
InChIInChI=1S/C22H21N5O3S/c1-14-20(22-27-26-21(30-22)17-6-4-15(5-7-17)12-23-2)25-19(13-24-14)16-8-10-18(11-9-16)31(3,28)29/h4-11,13,23H,12H2,1-3H3
InChIKeyTVFPCEDLUDQVQU-UHFFFAOYSA-N
XLogP3.29
TPSA110.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
1-[3-chloro-4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine
CID 157382119
1-[4-[5-[6-(3-fluoro-4-propan-2-ylsulfonylphenyl)-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 159361334
N-methyl-1-[5-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]thiophen-3-yl]methanamine;molecular hydrogen
CID 162140189
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
1-[4-[5-[6-[4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]-2-methylphenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 158306992
2-[3-methyl-6-(3-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 146735790
5-[4-(azetidin-1-ylsulfonyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 161124180
1-[4-[5-[6-[3-chloro-4-[dihydroxy(propan-2-yl)-λ4-sulfanyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 161254830
1-[3-fluoro-4-[5-[3-methyl-6-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-N-methylmethanamine;molecular hydrogen
CID 160847327
5-[4-[azetidin-1-yl(dihydroxy)-λ4-sulfanyl]phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59472399
4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471640

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine (CID 152850768) is N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3C)o2)cc1.
What is the InChIKey of N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
The InChIKey is TVFPCEDLUDQVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-14-20(22-27-26-21(30-22)17-6-4-15(5-7-17)12-23-2)25-19(13-24-14)16-8-10-18(11-9-16)31(3,28)29/h4-11,13,23H,12H2,1-3H3.
What are the key properties of N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine?
N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine has a molecular weight of 435.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine is sourced from PubChem (CID 152850768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).