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

C24H30FN5O2 — CID 162665758

IUPAC2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1cc(-c2nc3cc(F)ccc3o2)ccc1NC(=O)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C24H30FN5O2/c1-17-14-18(24-27-21-15-19(25)5-7-22(21)32-24)4-6-20(17)26-23(31)16-30-12-10-29(11-13-30)9-8-28(2)3/h4-7,14-15H,8-13,16H2,1-3H3,(H,26,31)
InChIKeySANQYXXBNKLGEM-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.06
Rot. Bonds7

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

2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (PubChem CID 162665758) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
PubChem CID162665758
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
SMILESCc1cc(-c2nc3cc(F)ccc3o2)ccc1NC(=O)CN1CCN(CCN(C)C)CC1
InChIInChI=1S/C24H30FN5O2/c1-17-14-18(24-27-21-15-19(25)5-7-22(21)32-24)4-6-20(17)26-23(31)16-30-12-10-29(11-13-30)9-8-28(2)3/h4-7,14-15H,8-13,16H2,1-3H3,(H,26,31)
InChIKeySANQYXXBNKLGEM-UHFFFAOYSA-N
XLogP3.06
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.06
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-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide (CID 162665758) is 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is Cc1cc(-c2nc3cc(F)ccc3o2)ccc1NC(=O)CN1CCN(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
The InChIKey is SANQYXXBNKLGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-17-14-18(24-27-21-15-19(25)5-7-22(21)32-24)4-6-20(17)26-23(31)16-30-12-10-29(11-13-30)9-8-28(2)3/h4-7,14-15H,8-13,16H2,1-3H3,(H,26,31).
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide?
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide has a molecular weight of 439.54 g/mol, XLogP of 3.06, 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-[4-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide is sourced from PubChem (CID 162665758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).