3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide

C27H23F3N6O3S — CID 56967373

IUPAC3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(-c2ncco2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1
InChIInChI=1S/C27H23F3N6O3S/c1-26(31,13-16-6-4-3-5-7-16)25-35-34-23(39-25)18-10-17(22-32-8-9-38-22)11-19(12-18)24(37)36(2)14-21-33-20(15-40-21)27(28,29)30/h3-12,15H,13-14,31H2,1-2H3/t26-/m1/s1
InChIKeyRCWAFSKDBYFWCC-AREMUKBSSA-N
MW568.58 g/mol
LogP5.56
Rot. Bonds8

About 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide (PubChem CID 56967373) has the molecular formula C27H23F3N6O3S and a molecular weight of 568.58 g/mol. Its IUPAC name is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
PubChem CID56967373
Molecular FormulaC27H23F3N6O3S
Molecular Weight568.58 g/mol
Exact Mass568.15
IUPAC Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
SMILESCN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(-c2ncco2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1
InChIInChI=1S/C27H23F3N6O3S/c1-26(31,13-16-6-4-3-5-7-16)25-35-34-23(39-25)18-10-17(22-32-8-9-38-22)11-19(12-18)24(37)36(2)14-21-33-20(15-40-21)27(28,29)30/h3-12,15H,13-14,31H2,1-2H3/t26-/m1/s1
InChIKeyRCWAFSKDBYFWCC-AREMUKBSSA-N
XLogP5.56
TPSA124.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide (CID 56967373) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide is CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cc(-c2ncco2)cc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1.
What is the InChIKey of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
The InChIKey is RCWAFSKDBYFWCC-AREMUKBSSA-N. The full InChI is InChI=1S/C27H23F3N6O3S/c1-26(31,13-16-6-4-3-5-7-16)25-35-34-23(39-25)18-10-17(22-32-8-9-38-22)11-19(12-18)24(37)36(2)14-21-33-20(15-40-21)27(28,29)30/h3-12,15H,13-14,31H2,1-2H3/t26-/m1/s1.
What are the key properties of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide?
3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide has a molecular weight of 568.58 g/mol, XLogP of 5.56, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-methyl-5-(1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 56967373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).