2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

C20H22N4O2 — CID 5275498

IUPAC2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C20H22N4O2/c1-23-9-11-24(12-10-23)14-19(25)21-16-7-8-18-17(13-16)22-20(26-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)
InChIKeyHANBXWBXMGPOEC-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide

2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 5275498) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID5275498
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)CC1
InChIInChI=1S/C20H22N4O2/c1-23-9-11-24(12-10-23)14-19(25)21-16-7-8-18-17(13-16)22-20(26-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)
InChIKeyHANBXWBXMGPOEC-UHFFFAOYSA-N
XLogP2.68
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide (CID 5275498) is 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is CN1CCN(CC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is HANBXWBXMGPOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-9-11-24(12-10-23)14-19(25)21-16-7-8-18-17(13-16)22-20(26-18)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide?
2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 5275498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).