3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide

C22H20F3N3O3 — CID 38937435

IUPAC3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)14-27-21(30)16-8-4-9-17(12-16)28-19(29)10-5-11-20-26-13-18(31-20)15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,10-11,14H2,(H,27,30)(H,28,29)
InChIKeyPSEFEMHNOQLQOM-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.60
Rot. Bonds8

About 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide

3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 38937435) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID38937435
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(CCCc1ncc(-c2ccccc2)o1)Nc1cccc(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C22H20F3N3O3/c23-22(24,25)14-27-21(30)16-8-4-9-17(12-16)28-19(29)10-5-11-20-26-13-18(31-20)15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,10-11,14H2,(H,27,30)(H,28,29)
InChIKeyPSEFEMHNOQLQOM-UHFFFAOYSA-N
XLogP4.60
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
4-(5-phenyl-1,3-oxazol-2-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 38936760
N-(3-bromophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590292
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60548909
3-(5-phenyl-1,3-oxazol-2-yl)-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 55991737
N,N-diethyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]carbamoyl]benzenesulfonamide
CID 39717055
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937830
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide (CID 38937435) is 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(CCCc1ncc(-c2ccccc2)o1)Nc1cccc(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is PSEFEMHNOQLQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c23-22(24,25)14-27-21(30)16-8-4-9-17(12-16)28-19(29)10-5-11-20-26-13-18(31-20)15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,10-11,14H2,(H,27,30)(H,28,29).
What are the key properties of 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide?
3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 431.41 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 38937435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).