N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C16H13ClF3N3O3 — CID 113192652

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)no1
InChIInChI=1S/C16H13ClF3N3O3/c1-8-4-13(22-26-8)23-7-9(5-14(23)24)15(25)21-10-2-3-12(17)11(6-10)16(18,19)20/h2-4,6,9H,5,7H2,1H3,(H,21,25)
InChIKeyWRICEAVFYFZMQV-UHFFFAOYSA-N
MW387.75 g/mol
LogP3.65
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113192652) has the molecular formula C16H13ClF3N3O3 and a molecular weight of 387.75 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113192652
Molecular FormulaC16H13ClF3N3O3
Molecular Weight387.75 g/mol
Exact Mass387.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)no1
InChIInChI=1S/C16H13ClF3N3O3/c1-8-4-13(22-26-8)23-7-9(5-14(23)24)15(25)21-10-2-3-12(17)11(6-10)16(18,19)20/h2-4,6,9H,5,7H2,1H3,(H,21,25)
InChIKeyWRICEAVFYFZMQV-UHFFFAOYSA-N
XLogP3.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192655
N-(3-chloro-4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192601
(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126
(3S)-1-(3-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 124529025
N-(3-cyanophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192666
(3S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 40977144
(3R)-1-(1,3-benzodioxol-5-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 31888932
N-(2-fluorophenyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192590
1-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192567
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110427091
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-butan-2-yl-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 113192481

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 113192652) is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2=O)no1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WRICEAVFYFZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O3/c1-8-4-13(22-26-8)23-7-9(5-14(23)24)15(25)21-10-2-3-12(17)11(6-10)16(18,19)20/h2-4,6,9H,5,7H2,1H3,(H,21,25).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.75 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113192652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).