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

C23H22N6O3 — CID 59472074

IUPAC4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCC(O)c1cccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1
InChIInChI=1S/C23H22N6O3/c1-13(30)16-5-4-6-17(11-16)21-27-28-22(32-21)19-20(24)25-12-18(26-19)14-7-9-15(10-8-14)23(31)29(2)3/h4-13,30H,1-3H3,(H2,24,25)
InChIKeyFTPREYTWLQPETG-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.20
Rot. Bonds5

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

4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 59472074) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID59472074
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCC(O)c1cccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1
InChIInChI=1S/C23H22N6O3/c1-13(30)16-5-4-6-17(11-16)21-27-28-22(32-21)19-20(24)25-12-18(26-19)14-7-9-15(10-8-14)23(31)29(2)3/h4-13,30H,1-3H3,(H2,24,25)
InChIKeyFTPREYTWLQPETG-UHFFFAOYSA-N
XLogP3.20
TPSA131.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide (CID 59472074) is 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is CC(O)c1cccc(-c2nnc(-c3nc(-c4ccc(C(=O)N(C)C)cc4)cnc3N)o2)c1.
What is the InChIKey of 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is FTPREYTWLQPETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-13(30)16-5-4-6-17(11-16)21-27-28-22(32-21)19-20(24)25-12-18(26-19)14-7-9-15(10-8-14)23(31)29(2)3/h4-13,30H,1-3H3,(H2,24,25).
What are the key properties of 4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-[5-[3-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 430.47 g/mol, XLogP of 3.20, 5 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-(1-hydroxyethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59472074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).