N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide

C23H26N4O4 — CID 27859694

IUPACN-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c1C
InChIInChI=1S/C23H26N4O4/c1-16-6-5-7-18(17(16)2)24-21(28)14-25-10-12-26(13-11-25)22(29)15-27-19-8-3-4-9-20(19)31-23(27)30/h3-9H,10-15H2,1-2H3,(H,24,28)
InChIKeyMKQGUYWVBOTLBK-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.99
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 27859694) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID27859694
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c1C
InChIInChI=1S/C23H26N4O4/c1-16-6-5-7-18(17(16)2)24-21(28)14-25-10-12-26(13-11-25)22(29)15-27-19-8-3-4-9-20(19)31-23(27)30/h3-9H,10-15H2,1-2H3,(H,24,28)
InChIKeyMKQGUYWVBOTLBK-UHFFFAOYSA-N
XLogP1.99
TPSA87.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-(3-acetamido-2-methylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 134019204
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
3-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 35609884
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
N-(2-ethylphenyl)-2-[4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8932847
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 27264387
N-(2,3-dimethylphenyl)-2-[4-[2-(oxolan-2-ylmethylamino)acetyl]piperazin-1-yl]acetamide
CID 119833608
N-(2,3-dimethylphenyl)-2-[4-[3-(2-ethoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 32964591
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 119833586

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide (CID 27859694) is N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)Cn3c(=O)oc4ccccc43)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is MKQGUYWVBOTLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-16-6-5-7-18(17(16)2)24-21(28)14-25-10-12-26(13-11-25)22(29)15-27-19-8-3-4-9-20(19)31-23(27)30/h3-9H,10-15H2,1-2H3,(H,24,28).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 27859694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).