N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

C20H27N5O3 — CID 30663123

IUPACN-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H27N5O3/c1-14-4-5-15(2)17(10-14)21-19(26)12-24-6-8-25(9-7-24)13-20(27)22-18-11-16(3)28-23-18/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,21,26)(H,22,23,27)
InChIKeyKMDFAEKDIFTYJP-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.79
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30663123) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30663123
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)c1
InChIInChI=1S/C20H27N5O3/c1-14-4-5-15(2)17(10-14)21-19(26)12-24-6-8-25(9-7-24)13-20(27)22-18-11-16(3)28-23-18/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,21,26)(H,22,23,27)
InChIKeyKMDFAEKDIFTYJP-UHFFFAOYSA-N
XLogP1.79
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
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N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
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CID 30740971
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
N-(2,5-dimethylphenyl)-2-[4-[(4-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 171335151
N-(2,5-dimethylphenyl)-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 165434223
3-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 55370076

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30663123) is N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1ccc(C)c(NC(=O)CN2CCN(CC(=O)Nc3cc(C)on3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is KMDFAEKDIFTYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-14-4-5-15(2)17(10-14)21-19(26)12-24-6-8-25(9-7-24)13-20(27)22-18-11-16(3)28-23-18/h4-5,10-11H,6-9,12-13H2,1-3H3,(H,21,26)(H,22,23,27).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 385.47 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30663123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).