N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide

C21H19ClF3N3O3 — CID 55758034

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H19ClF3N3O3/c1-13(2)28(12-18-26-27-20(30-18)16-5-3-4-6-17(16)22)19(29)11-14-7-9-15(10-8-14)31-21(23,24)25/h3-10,13H,11-12H2,1-2H3
InChIKeyYSVPBVOKUBYRPR-UHFFFAOYSA-N
MW453.85 g/mol
LogP5.27
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 55758034) has the molecular formula C21H19ClF3N3O3 and a molecular weight of 453.85 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID55758034
Molecular FormulaC21H19ClF3N3O3
Molecular Weight453.85 g/mol
Exact Mass453.11
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H19ClF3N3O3/c1-13(2)28(12-18-26-27-20(30-18)16-5-3-4-6-17(16)22)19(29)11-14-7-9-15(10-8-14)31-21(23,24)25/h3-10,13H,11-12H2,1-2H3
InChIKeyYSVPBVOKUBYRPR-UHFFFAOYSA-N
XLogP5.27
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.85
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 55758034) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is YSVPBVOKUBYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O3/c1-13(2)28(12-18-26-27-20(30-18)16-5-3-4-6-17(16)22)19(29)11-14-7-9-15(10-8-14)31-21(23,24)25/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 453.85 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 55758034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).