N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C22H16F3N5O5 — CID 53495942

IUPACN-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESNC(=O)CNC(=O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C22H16F3N5O5/c23-22(24,25)15-16(29-34-18(15)12-4-2-1-3-5-12)21-28-19(30-35-21)13-8-6-11(7-9-13)17(32)20(33)27-10-14(26)31/h1-9,17,32H,10H2,(H2,26,31)(H,27,33)
InChIKeyBERZZVRMKUQWCH-UHFFFAOYSA-N
MW487.39 g/mol
LogP2.71
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 53495942) has the molecular formula C22H16F3N5O5 and a molecular weight of 487.39 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID53495942
Molecular FormulaC22H16F3N5O5
Molecular Weight487.39 g/mol
Exact Mass487.11
IUPAC NameN-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESNC(=O)CNC(=O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1
InChIInChI=1S/C22H16F3N5O5/c23-22(24,25)15-16(29-34-18(15)12-4-2-1-3-5-12)21-28-19(30-35-21)13-8-6-11(7-9-13)17(32)20(33)27-10-14(26)31/h1-9,17,32H,10H2,(H2,26,31)(H,27,33)
InChIKeyBERZZVRMKUQWCH-UHFFFAOYSA-N
XLogP2.71
TPSA157.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide with MolForge

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Related Compounds

2-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]acetic acid
CID 67457557
(2R)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 67459033
(2R)-N-(2-aminoethyl)-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 67454092
N-ethyl-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53496729
N-(2-acetamidoethyl)-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53495670
2-hydroxy-N-(3-hydroxy-3-methylbutyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53496864
tert-butyl N-[2-[[(2R)-2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]ethyl]carbamate
CID 123831835
2-hydroxy-N-(2-methylsulfonylethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53497285
2-hydroxy-N-(3-imidazol-1-ylpropyl)-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 53495939
N-tert-butyl-3-[[2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetyl]amino]propanamide
CID 53496220
2-hydroxy-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 67458957
2-hydroxy-N-(1,3-oxazol-5-ylmethyl)-2-[4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53496601

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 53495942) is N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is NC(=O)CNC(=O)C(O)c1ccc(-c2noc(-c3noc(-c4ccccc4)c3C(F)(F)F)n2)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is BERZZVRMKUQWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O5/c23-22(24,25)15-16(29-34-18(15)12-4-2-1-3-5-12)21-28-19(30-35-21)13-8-6-11(7-9-13)17(32)20(33)27-10-14(26)31/h1-9,17,32H,10H2,(H2,26,31)(H,27,33).
What are the key properties of N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 487.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-hydroxy-2-[4-[5-[5-phenyl-4-(trifluoromethyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 53495942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).