2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

C16H22N4O2 — CID 22519759

IUPAC2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCN1CCN(CCNC(=O)Cc2noc3ccccc23)CC1
InChIInChI=1S/C16H22N4O2/c1-19-8-10-20(11-9-19)7-6-17-16(21)12-14-13-4-2-3-5-15(13)22-18-14/h2-5H,6-12H2,1H3,(H,17,21)
InChIKeyOVIGTVCFMDMDQJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.73
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 22519759) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
PubChem CID22519759
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
SMILESCN1CCN(CCNC(=O)Cc2noc3ccccc23)CC1
InChIInChI=1S/C16H22N4O2/c1-19-8-10-20(11-9-19)7-6-17-16(21)12-14-13-4-2-3-5-15(13)22-18-14/h2-5H,6-12H2,1H3,(H,17,21)
InChIKeyOVIGTVCFMDMDQJ-UHFFFAOYSA-N
XLogP0.73
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22519680
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CID 51082256
2-(1,2-benzoxazol-3-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394354
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
CID 56703214
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605703
N-(4-azidobutyl)-2-(1,2-benzoxazol-3-yl)acetamide
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2-(1,2-benzoxazol-3-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)acetamide
CID 77088501
2-(1,2-benzoxazol-3-yl)-N-[(2,4-dimethylphenyl)methyl]acetamide
CID 52572922
2-(1,2-benzoxazol-3-yl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 45497837
2-(1,2-benzoxazol-3-yl)-N-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 22519759) is 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide is CN1CCN(CCNC(=O)Cc2noc3ccccc23)CC1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is OVIGTVCFMDMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-8-10-20(11-9-19)7-6-17-16(21)12-14-13-4-2-3-5-15(13)22-18-14/h2-5H,6-12H2,1H3,(H,17,21).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 22519759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).