N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C19H20ClF3N4O3 — CID 153173947

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(C)CCC(=O)N2c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C19H20ClF3N4O3/c1-17(2,3)12-8-13(26-30-12)25-16(29)18(4)6-5-14(28)27(18)15-11(20)7-10(9-24-15)19(21,22)23/h7-9H,5-6H2,1-4H3,(H,25,26,29)
InChIKeyWEUDCSFCBYVBKD-UHFFFAOYSA-N
MW444.84 g/mol
LogP4.56
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 153173947) has the molecular formula C19H20ClF3N4O3 and a molecular weight of 444.84 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID153173947
Molecular FormulaC19H20ClF3N4O3
Molecular Weight444.84 g/mol
Exact Mass444.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2(C)CCC(=O)N2c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C19H20ClF3N4O3/c1-17(2,3)12-8-13(26-30-12)25-16(29)18(4)6-5-14(28)27(18)15-11(20)7-10(9-24-15)19(21,22)23/h7-9H,5-6H2,1-4H3,(H,25,26,29)
InChIKeyWEUDCSFCBYVBKD-UHFFFAOYSA-N
XLogP4.56
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
CID 77295527
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249912
5-tert-butyl-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 43348631
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-propan-2-ylpyrrolidin-2-one
CID 67953081
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 115871414
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrrolidin-3-ol
CID 103725154
(5-tert-butyl-1,2-oxazol-3-yl)urea
CID 6453261
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]propanamide;2-methyl-2-[(6-methyl-3-pyridinyl)sulfonyl]-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 159032670
(5-tert-butyl-1,2-oxazol-3-yl)carbamic acid
CID 21098071
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-hydroxypiperidine-3-carboxamide
CID 100647448
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 134852262
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N,2-dimethylpropanamide
CID 110208949

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 153173947) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)C2(C)CCC(=O)N2c2ncc(C(F)(F)F)cc2Cl)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is WEUDCSFCBYVBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N4O3/c1-17(2,3)12-8-13(26-30-12)25-16(29)18(4)6-5-14(28)27(18)15-11(20)7-10(9-24-15)19(21,22)23/h7-9H,5-6H2,1-4H3,(H,25,26,29).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 444.84 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 153173947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).