4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen

C23H28N6O3 — CID 158551825

IUPAC4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22N6O3.3H2/c1-29(2)23(31)16-8-6-15(7-9-16)18-13-25-20(24)19(26-18)22-28-27-21(32-22)17-5-3-4-14(12-17)10-11-30;;;/h3-9,12-13,30H,10-11H2,1-2H3,(H2,24,25);3*1H
InChIKeyHPUUYIURJBSGOT-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.42
Rot. Bonds6

About 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen

4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (PubChem CID 158551825) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.

Molecular Properties

Compound Name4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
PubChem CID158551825
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22N6O3.3H2/c1-29(2)23(31)16-8-6-15(7-9-16)18-13-25-20(24)19(26-18)22-28-27-21(32-22)17-5-3-4-14(12-17)10-11-30;;;/h3-9,12-13,30H,10-11H2,1-2H3,(H2,24,25);3*1H
InChIKeyHPUUYIURJBSGOT-UHFFFAOYSA-N
XLogP3.42
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59472074
N,N-dimethyl-4-[5-methyl-6-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]benzamide;molecular hydrogen
CID 158225404
2-[3-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanol
CID 162012937
4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471640
4-[5-amino-6-(5-anilino-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 157321398
4-[6-[5-(2-amino-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide
CID 160610706
5-[5-amino-6-[5-[3-(2-bromoethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 174698912
3-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide
CID 59471656
4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 159987448
4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
CID 91271432
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
CID 158278038
2-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]propan-2-ol
CID 91438968

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The IUPAC name of 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (CID 158551825) is 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.
What is the SMILES notation for 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The canonical SMILES for 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4cccc(CCO)c4)o3)n2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
The InChIKey is HPUUYIURJBSGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3.3H2/c1-29(2)23(31)16-8-6-15(7-9-16)18-13-25-20(24)19(26-18)22-28-27-21(32-22)17-5-3-4-14(12-17)10-11-30;;;/h3-9,12-13,30H,10-11H2,1-2H3,(H2,24,25);3*1H.
What are the key properties of 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?
4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen has a molecular weight of 436.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[5-[3-(2-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is sourced from PubChem (CID 158551825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).