2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C20H23F3N4O4 — CID 86949042

IUPAC2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)c1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)on1
InChIInChI=1S/C20H23F3N4O4/c1-13(2)16-11-17(31-25-16)19(29)27-9-7-26(8-10-27)12-18(28)24-14-3-5-15(6-4-14)30-20(21,22)23/h3-6,11,13H,7-10,12H2,1-2H3,(H,24,28)
InChIKeyHDUUJMLPARLTNN-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.09
Rot. Bonds6

About 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 86949042) has the molecular formula C20H23F3N4O4 and a molecular weight of 440.42 g/mol. Its IUPAC name is 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID86949042
Molecular FormulaC20H23F3N4O4
Molecular Weight440.42 g/mol
Exact Mass440.17
IUPAC Name2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)c1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)on1
InChIInChI=1S/C20H23F3N4O4/c1-13(2)16-11-17(31-25-16)19(29)27-9-7-26(8-10-27)12-18(28)24-14-3-5-15(6-4-14)30-20(21,22)23/h3-6,11,13H,7-10,12H2,1-2H3,(H,24,28)
InChIKeyHDUUJMLPARLTNN-UHFFFAOYSA-N
XLogP3.09
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-methylbenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020888
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 29166416
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]propanamide
CID 30966237
2-[4-(4-acetyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 24616434
N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405
2-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9020912
2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 43017485
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51578372
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 55364252
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
2-[4-(quinoline-2-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 27852434

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 86949042) is 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is CC(C)c1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)on1.
What is the InChIKey of 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is HDUUJMLPARLTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O4/c1-13(2)16-11-17(31-25-16)19(29)27-9-7-26(8-10-27)12-18(28)24-14-3-5-15(6-4-14)30-20(21,22)23/h3-6,11,13H,7-10,12H2,1-2H3,(H,24,28).
What are the key properties of 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 440.42 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 86949042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).