2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C14H11F3N2O3 — CID 2726935

IUPAC2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)c2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C14H11F3N2O3/c1-8-19-11(12(22-8)14(15,16)17)13(21)18-7-10(20)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,18,21)
InChIKeyCWJPUXMYVLFMOR-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.61
Rot. Bonds4

About 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 2726935) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID2726935
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(=O)c2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C14H11F3N2O3/c1-8-19-11(12(22-8)14(15,16)17)13(21)18-7-10(20)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,18,21)
InChIKeyCWJPUXMYVLFMOR-UHFFFAOYSA-N
XLogP2.61
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dipeptidyl nitrile inhibitor, 20
CID 44224130
N'-(4-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
CID 2726925
N'-(2-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
CID 2726923
N'-(3-chlorobenzoyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
CID 2726924
N'-benzoyl-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carbohydrazide
CID 2726926
N-[2-(4-chlorophenyl)-2-oxoethyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 2726936
N-butyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53382895
2-(2,6-difluorophenyl)-N-pentyl-5-phenyl-1,3-oxazole-4-carboxamide
CID 53382897
N-butyl-2-(4-piperidinyl)-5-[3-(trifluoromethyl)phenyl]-4-oxazolecarboxamide
CID 53382902
1-[(2,5-Dimethyl-1,3-oxazol-4-yl)carbonyl]-3-{2-[3-(trifluoromethyl)phenyl]ethyl}piperidine
CID 56865049
4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 71837795
(2S)-1-[5-methyl-2-(3-phenylpropyl)-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 169259996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 2726935) is 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCC(=O)c2ccccc2)c(C(F)(F)F)o1.
What is the InChIKey of 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is CWJPUXMYVLFMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-8-19-11(12(22-8)14(15,16)17)13(21)18-7-10(20)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,18,21).
What are the key properties of 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenacyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 2726935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).