[4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone

C22H22F3N5O2S — CID 71231999

IUPAC[4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCN(C2CN(Cc3nc(-c4ccccc4)oc3C(F)(F)F)C2)CC1
InChIInChI=1S/C22H22F3N5O2S/c23-22(24,25)18-17(27-19(32-18)15-4-2-1-3-5-15)14-28-12-16(13-28)29-7-9-30(10-8-29)21(31)20-26-6-11-33-20/h1-6,11,16H,7-10,12-14H2
InChIKeyJZPAIBIPBYEMPD-UHFFFAOYSA-N
MW477.51 g/mol
LogP3.46
Rot. Bonds5

About [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone

[4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 71231999) has the molecular formula C22H22F3N5O2S and a molecular weight of 477.51 g/mol. Its IUPAC name is [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID71231999
Molecular FormulaC22H22F3N5O2S
Molecular Weight477.51 g/mol
Exact Mass477.14
IUPAC Name[4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)N1CCN(C2CN(Cc3nc(-c4ccccc4)oc3C(F)(F)F)C2)CC1
InChIInChI=1S/C22H22F3N5O2S/c23-22(24,25)18-17(27-19(32-18)15-4-2-1-3-5-15)14-28-12-16(13-28)29-7-9-30(10-8-29)21(31)20-26-6-11-33-20/h1-6,11,16H,7-10,12-14H2
InChIKeyJZPAIBIPBYEMPD-UHFFFAOYSA-N
XLogP3.46
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 71231999) is [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)N1CCN(C2CN(Cc3nc(-c4ccccc4)oc3C(F)(F)F)C2)CC1.
What is the InChIKey of [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is JZPAIBIPBYEMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2S/c23-22(24,25)18-17(27-19(32-18)15-4-2-1-3-5-15)14-28-12-16(13-28)29-7-9-30(10-8-29)21(31)20-26-6-11-33-20/h1-6,11,16H,7-10,12-14H2.
What are the key properties of [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone?
[4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 477.51 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 71231999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).