2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide

C21H25FN4O3 — CID 178096379

IUPAC2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)o1
InChIInChI=1S/C21H25FN4O3/c1-24(2)20(28)18-13-23-21(29-18)26-9-7-25(8-10-26)19(27)12-14-3-6-16(15-4-5-15)17(22)11-14/h3,6,11,13,15H,4-5,7-10,12H2,1-2H3
InChIKeyTWPHTCYDKFJIJX-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide

2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 178096379) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID178096379
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide
SMILESCN(C)C(=O)c1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)o1
InChIInChI=1S/C21H25FN4O3/c1-24(2)20(28)18-13-23-21(29-18)26-9-7-25(8-10-26)19(27)12-14-3-6-16(15-4-5-15)17(22)11-14/h3,6,11,13,15H,4-5,7-10,12H2,1-2H3
InChIKeyTWPHTCYDKFJIJX-UHFFFAOYSA-N
XLogP2.28
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-1-methylpyrimidin-2-one
CID 178096352
2-(4-cyclopropyl-3-fluorophenyl)-1-(4-pyrido[2,3-d]pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 178096351
2-(4-cyclopropyl-3-fluorophenyl)-1-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 155161643
4-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 175905284
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
2-(3,4-difluorophenyl)-1-pyrrolidin-1-ylethanone
CID 71683361
2-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]-6-pyridin-2-yl-2,6-diazaspiro[3.4]octan-7-one
CID 178096362
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106
(4-cyclopropyl-3-fluorophenyl)methanol;ethane
CID 144930453
2-(4-fluorophenyl)-1-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 50944561
2-(3-fluoro-4-hydroxyphenyl)-1-(4-quinazolin-4-ylpiperazin-1-yl)ethanone
CID 56902186
1-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 60667511

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide (CID 178096379) is 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide is CN(C)C(=O)c1cnc(N2CCN(C(=O)Cc3ccc(C4CC4)c(F)c3)CC2)o1.
What is the InChIKey of 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is TWPHTCYDKFJIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-24(2)20(28)18-13-23-21(29-18)26-9-7-25(8-10-26)19(27)12-14-3-6-16(15-4-5-15)17(22)11-14/h3,6,11,13,15H,4-5,7-10,12H2,1-2H3.
What are the key properties of 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide?
2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl]-N,N-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 178096379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).