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

C22H18FN5O4S — CID 59472031

IUPAC3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(S(=O)(=O)C3CCOC3)cc2)nc1-c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C22H18FN5O4S/c23-17-4-2-1-3-16(17)21-27-28-22(32-21)19-20(24)25-11-18(26-19)13-5-7-14(8-6-13)33(29,30)15-9-10-31-12-15/h1-8,11,15H,9-10,12H2,(H2,24,25)
InChIKeyWNXYZSBIOUNKDQ-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.14
Rot. Bonds5

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

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine (PubChem CID 59472031) has the molecular formula C22H18FN5O4S and a molecular weight of 467.48 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine
PubChem CID59472031
Molecular FormulaC22H18FN5O4S
Molecular Weight467.48 g/mol
Exact Mass467.11
IUPAC Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(S(=O)(=O)C3CCOC3)cc2)nc1-c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C22H18FN5O4S/c23-17-4-2-1-3-16(17)21-27-28-22(32-21)19-20(24)25-11-18(26-19)13-5-7-14(8-6-13)33(29,30)15-9-10-31-12-15/h1-8,11,15H,9-10,12H2,(H2,24,25)
InChIKeyWNXYZSBIOUNKDQ-UHFFFAOYSA-N
XLogP3.14
TPSA134.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
3-(5-Phenyl-1,3-oxazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 71554734
3-(2-Phenyl-1,3-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155536557
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 59471680
1-[[4-[5-[3-Amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]-2-methylpropan-2-ol
CID 59471725
3-[5-[2-Fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
CID 59471773
5-[4-[3-(Dimethylamino)-1-methyl-propyl]sulfonylphenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471789
4-[5-amino-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471830
5-(2-Fluoro-4-isopropylsulfonyl-phenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471836
3-[5-[4-[(1S)-1-amino-2,2,2-trifluoro-ethyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine
CID 59471865
5-[4-[2-(Dimethylamino)-1-methyl-ethyl]sulfonylphenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471890
5-(3-Fluoro-4-isopropylsulfonyl-phenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59472011

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine (CID 59472031) is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine is Nc1ncc(-c2ccc(S(=O)(=O)C3CCOC3)cc2)nc1-c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine?
The InChIKey is WNXYZSBIOUNKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O4S/c23-17-4-2-1-3-16(17)21-27-28-22(32-21)19-20(24)25-11-18(26-19)13-5-7-14(8-6-13)33(29,30)15-9-10-31-12-15/h1-8,11,15H,9-10,12H2,(H2,24,25).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine?
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine has a molecular weight of 467.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-[4-(oxolan-3-ylsulfonyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 59472031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).