3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C23H26N6O3S — CID 166971239

IUPAC3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C3NN=C(c4cccc([C@H](C)N)c4)O3)n2)cc1
InChIInChI=1S/C23H26N6O3S/c1-13(2)33(30,31)18-9-7-15(8-10-18)19-12-26-21(25)20(27-19)23-29-28-22(32-23)17-6-4-5-16(11-17)14(3)24/h4-14,23,29H,24H2,1-3H3,(H2,25,26)/t14-,23?/m0/s1
InChIKeyFHKXFZYCITUONV-JRQMZCAUSA-N
MW466.57 g/mol
LogP2.91
Rot. Bonds6

About 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 166971239) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID166971239
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC Name3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C3NN=C(c4cccc([C@H](C)N)c4)O3)n2)cc1
InChIInChI=1S/C23H26N6O3S/c1-13(2)33(30,31)18-9-7-15(8-10-18)19-12-26-21(25)20(27-19)23-29-28-22(32-23)17-6-4-5-16(11-17)14(3)24/h4-14,23,29H,24H2,1-3H3,(H2,25,26)/t14-,23?/m0/s1
InChIKeyFHKXFZYCITUONV-JRQMZCAUSA-N
XLogP2.91
TPSA145.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)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-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 166971239) is 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C3NN=C(c4cccc([C@H](C)N)c4)O3)n2)cc1.
What is the InChIKey of 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is FHKXFZYCITUONV-JRQMZCAUSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-13(2)33(30,31)18-9-7-15(8-10-18)19-12-26-21(25)20(27-19)23-29-28-22(32-23)17-6-4-5-16(11-17)14(3)24/h4-14,23,29H,24H2,1-3H3,(H2,25,26)/t14-,23?/m0/s1.
What are the key properties of 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 466.57 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[(1S)-1-aminoethyl]phenyl]-2,3-dihydro-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 166971239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).