N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide

C22H19F3N4O3 — CID 90515030

IUPACN-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1)c1ccccc1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)16-7-4-8-17(13-16)28-9-11-29(12-10-28)20(31)18-14-32-21(26-18)27-19(30)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,26,27,30)
InChIKeyPDJXPBGLSOZTHJ-UHFFFAOYSA-N
MW444.41 g/mol
LogP3.91
Rot. Bonds4

About N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide

N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 90515030) has the molecular formula C22H19F3N4O3 and a molecular weight of 444.41 g/mol. Its IUPAC name is N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
PubChem CID90515030
Molecular FormulaC22H19F3N4O3
Molecular Weight444.41 g/mol
Exact Mass444.14
IUPAC NameN-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1)c1ccccc1
InChIInChI=1S/C22H19F3N4O3/c23-22(24,25)16-7-4-8-17(13-16)28-9-11-29(12-10-28)20(31)18-14-32-21(26-18)27-19(30)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,26,27,30)
InChIKeyPDJXPBGLSOZTHJ-UHFFFAOYSA-N
XLogP3.91
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515047
N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90514908
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3469228
4-chloro-N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915165
[2-(1-aminopentyl)-1,3-oxazol-4-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4991020
N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 90515048
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]-phenylmethanone
CID 42705379
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 71511489
(3-phenylthiophen-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 24513867
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 52907888

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide (CID 90515030) is N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)co1)c1ccccc1.
What is the InChIKey of N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is PDJXPBGLSOZTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3/c23-22(24,25)16-7-4-8-17(13-16)28-9-11-29(12-10-28)20(31)18-14-32-21(26-18)27-19(30)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2,(H,26,27,30).
What are the key properties of N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 444.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 90515030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).