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

C22H20F3N5O3S — CID 66840318

IUPAC[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1nccs1)N1CCN(C2CN(C(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)C2)CC1
InChIInChI=1S/C22H20F3N5O3S/c23-22(24,25)17-16(27-18(33-17)14-4-2-1-3-5-14)20(31)30-12-15(13-30)28-7-9-29(10-8-28)21(32)19-26-6-11-34-19/h1-6,11,15H,7-10,12-13H2
InChIKeyYSLIWAFCOKUYMY-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.10
Rot. Bonds4

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

[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840318) has the molecular formula C22H20F3N5O3S and a molecular weight of 491.50 g/mol. Its IUPAC name is [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66840318
Molecular FormulaC22H20F3N5O3S
Molecular Weight491.50 g/mol
Exact Mass491.12
IUPAC Name[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1nccs1)N1CCN(C2CN(C(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)C2)CC1
InChIInChI=1S/C22H20F3N5O3S/c23-22(24,25)17-16(27-18(33-17)14-4-2-1-3-5-14)20(31)30-12-15(13-30)28-7-9-29(10-8-28)21(32)19-26-6-11-34-19/h1-6,11,15H,7-10,12-13H2
InChIKeyYSLIWAFCOKUYMY-UHFFFAOYSA-N
XLogP3.10
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-4-propyl-N-[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-yl]-1,3-oxazole-5-carboxamide
CID 16069002
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (2-morpholin-4-yl-thiazol-5-yl)-amide
CID 57398504
5-methyl-2-phenyl-N-(1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide
CID 2497379
2-(2,4-Difluorophenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191257
2-[(5-Methyl-2-phenyl-1,3-oxazole-4-carbonyl)-(1,3-thiazol-2-ylmethyl)amino]acetic acid
CID 44571128
2-(2-Ethoxyphenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191914
5-methyl-2-naphthalen-2-yl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 25380661
1-{[2-(3,5-Difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-(1,3-thiazol-2-yl)piperidine
CID 45228295
(1R,5S)-3-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-(1,3-thiazol-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 164634649
[5-(4-Fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidin-1-yl]methanone
CID 10298315
2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid {2-[(2-methoxy-ethyl)-methyl-amino]-thiazol-5-yl}-amide
CID 59301412
(2R)-3-benzylsulfanyl-2-[[5-[4-(1,3-thiazol-2-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 60056120

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840318) is [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1nccs1)N1CCN(C2CN(C(=O)c3nc(-c4ccccc4)oc3C(F)(F)F)C2)CC1.
What is the InChIKey of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is YSLIWAFCOKUYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O3S/c23-22(24,25)17-16(27-18(33-17)14-4-2-1-3-5-14)20(31)30-12-15(13-30)28-7-9-29(10-8-28)21(32)19-26-6-11-34-19/h1-6,11,15H,7-10,12-13H2.
What are the key properties of [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 491.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).