[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen

C17H23N5O3S — CID 160543901

IUPAC[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen
SMILESCc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(CN)o1.[H][H].[H][H]
InChIInChI=1S/C17H19N5O3S.2H2/c1-10(2)26(23,24)13-6-4-12(5-7-13)14-9-19-11(3)16(20-14)17-22-21-15(8-18)25-17;;/h4-7,9-10H,8,18H2,1-3H3;2*1H
InChIKeyQXDYCAVVCDEBNN-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.63
Rot. Bonds5

About [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen

[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen (PubChem CID 160543901) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen.

Molecular Properties

Compound Name[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen
PubChem CID160543901
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen
SMILESCc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(CN)o1.[H][H].[H][H]
InChIInChI=1S/C17H19N5O3S.2H2/c1-10(2)26(23,24)13-6-4-12(5-7-13)14-9-19-11(3)16(20-14)17-22-21-15(8-18)25-17;;/h4-7,9-10H,8,18H2,1-3H3;2*1H
InChIKeyQXDYCAVVCDEBNN-UHFFFAOYSA-N
XLogP2.63
TPSA124.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen
CID 159051269
3-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;molecular hydrogen
CID 157338818
[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 161228678
1-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]piperidin-4-amine;molecular hydrogen
CID 158696661
(1S)-1-[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine
CID 147454838
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
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
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
N'-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]propane-1,3-diamine
CID 59472267
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-5-propan-2-ylsulfonylbenzonitrile;molecular hydrogen
CID 158825320

Frequently Asked Questions

What is the IUPAC name of [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen?
The IUPAC name of [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen (CID 160543901) is [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen.
What is the SMILES notation for [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen?
The canonical SMILES for [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen is Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(CN)o1.[H][H].[H][H].
What is the InChIKey of [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen?
The InChIKey is QXDYCAVVCDEBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S.2H2/c1-10(2)26(23,24)13-6-4-12(5-7-13)14-9-19-11(3)16(20-14)17-22-21-15(8-18)25-17;;/h4-7,9-10H,8,18H2,1-3H3;2*1H.
What are the key properties of [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen?
[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen has a molecular weight of 377.47 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen is sourced from PubChem (CID 160543901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).