2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide

C23H32N4O4 — CID 86879374

IUPAC2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
SMILESCCCOc1cccc(CNC(=O)CN2CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C23H32N4O4/c1-4-12-30-20-7-5-6-19(13-20)15-24-22(28)16-26-8-10-27(11-9-26)23(29)14-21-17(2)25-31-18(21)3/h5-7,13H,4,8-12,14-16H2,1-3H3,(H,24,28)
InChIKeyZHJPXSWPCATGGD-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.08
Rot. Bonds9

About 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide (PubChem CID 86879374) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
PubChem CID86879374
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
SMILESCCCOc1cccc(CNC(=O)CN2CCN(C(=O)Cc3c(C)noc3C)CC2)c1
InChIInChI=1S/C23H32N4O4/c1-4-12-30-20-7-5-6-19(13-20)15-24-22(28)16-26-8-10-27(11-9-26)23(29)14-21-17(2)25-31-18(21)3/h5-7,13H,4,8-12,14-16H2,1-3H3,(H,24,28)
InChIKeyZHJPXSWPCATGGD-UHFFFAOYSA-N
XLogP2.08
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 86879469
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(3-ethoxyphenyl)methyl]acetamide
CID 78899307
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 86879454
1-[2-[(3-butoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907001
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]piperazine-1-carboxamide
CID 86879890
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 78899254
1-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 86877503
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9147936
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide
CID 72687729
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 75527446

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide (CID 86879374) is 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide is CCCOc1cccc(CNC(=O)CN2CCN(C(=O)Cc3c(C)noc3C)CC2)c1.
What is the InChIKey of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide?
The InChIKey is ZHJPXSWPCATGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-4-12-30-20-7-5-6-19(13-20)15-24-22(28)16-26-8-10-27(11-9-26)23(29)14-21-17(2)25-31-18(21)3/h5-7,13H,4,8-12,14-16H2,1-3H3,(H,24,28).
What are the key properties of 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide?
2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide has a molecular weight of 428.53 g/mol, XLogP of 2.08, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-N-[(3-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 86879374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).