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

C25H27N5O4 — CID 159987448

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

4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (PubChem CID 159987448) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
• PubChem CID: 159987448
• Molecular Formula: C25H27N5O4
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.21
• IUPAC Name: 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen
• SMILES: Cc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccccc2OCCCO)o1.[H][H]
• InChI: InChI=1S/C25H25N5O4.H2/c1-16-22(27-20(15-26-16)17-9-11-18(12-10-17)25(32)30(2)3)24-29-28-23(34-24)19-7-4-5-8-21(19)33-14-6-13-31;/h4-5,7-12,15,31H,6,13-14H2,1-3H3;1H
• InChIKey: OGNBHWXHYYLDJR-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 114.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?

The IUPAC name of 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen (CID 159987448) is 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen.

What is the SMILES notation for 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?

The canonical SMILES for 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is Cc1ncc(-c2ccc(C(=O)N(C)C)cc2)nc1-c1nnc(-c2ccccc2OCCCO)o1.[H][H].

What is the InChIKey of 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?

The InChIKey is OGNBHWXHYYLDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4.H2/c1-16-22(27-20(15-26-16)17-9-11-18(12-10-17)25(32)30(2)3)24-29-28-23(34-24)19-7-4-5-8-21(19)33-14-6-13-31;/h4-5,7-12,15,31H,6,13-14H2,1-3H3;1H.

What are the key properties of 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen?

4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen has a molecular weight of 461.52 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[5-[2-(3-hydroxypropoxy)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]-N,N-dimethylbenzamide;molecular hydrogen is sourced from PubChem (CID 159987448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).