2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

C25H33N5O2 — CID 155168393

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)CN4CCN(CCN(C)C)CC4)c(C)c3)nc2c1
InChIInChI=1S/C25H33N5O2/c1-18-5-8-23-22(15-18)27-25(32-23)20-6-7-21(19(2)16-20)26-24(31)17-30-13-11-29(12-14-30)10-9-28(3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,26,31)
InChIKeySZRNLZVDOISLQD-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.23
Rot. Bonds7

About 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (PubChem CID 155168393) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
PubChem CID155168393
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
SMILESCc1ccc2oc(-c3ccc(NC(=O)CN4CCN(CCN(C)C)CC4)c(C)c3)nc2c1
InChIInChI=1S/C25H33N5O2/c1-18-5-8-23-22(15-18)27-25(32-23)20-6-7-21(19(2)16-20)26-24(31)17-30-13-11-29(12-14-30)10-9-28(3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,26,31)
InChIKeySZRNLZVDOISLQD-UHFFFAOYSA-N
XLogP3.23
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide (CID 155168393) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is Cc1ccc2oc(-c3ccc(NC(=O)CN4CCN(CCN(C)C)CC4)c(C)c3)nc2c1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
The InChIKey is SZRNLZVDOISLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-18-5-8-23-22(15-18)27-25(32-23)20-6-7-21(19(2)16-20)26-24(31)17-30-13-11-29(12-14-30)10-9-28(3)4/h5-8,15-16H,9-14,17H2,1-4H3,(H,26,31).
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide has a molecular weight of 435.57 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 155168393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).