N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide

C18H20ClF3N4O3 — CID 77295527

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC(O)CN2c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C18H20ClF3N4O3/c1-17(2,3)13-6-14(25-29-13)24-16(28)12-5-10(27)8-26(12)15-11(19)4-9(7-23-15)18(20,21)22/h4,6-7,10,12,27H,5,8H2,1-3H3,(H,24,25,28)
InChIKeyZZCMJQDTEVLHIZ-UHFFFAOYSA-N
MW432.83 g/mol
LogP3.62
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 77295527) has the molecular formula C18H20ClF3N4O3 and a molecular weight of 432.83 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID77295527
Molecular FormulaC18H20ClF3N4O3
Molecular Weight432.83 g/mol
Exact Mass432.12
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)C2CC(O)CN2c2ncc(C(F)(F)F)cc2Cl)no1
InChIInChI=1S/C18H20ClF3N4O3/c1-17(2,3)13-6-14(25-29-13)24-16(28)12-5-10(27)8-26(12)15-11(19)4-9(7-23-15)18(20,21)22/h4,6-7,10,12,27H,5,8H2,1-3H3,(H,24,25,28)
InChIKeyZZCMJQDTEVLHIZ-UHFFFAOYSA-N
XLogP3.62
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.83
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
CID 118249912
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 153173947
(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(5-chloro-2-pyridinyl)azetidine-2-carboxamide
CID 67953708
(4S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-4-hydroxypiperidine-2-carboxamide
CID 70865355
8-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770283
(2S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[2-methyl-1-(oxan-2-yloxy)propan-2-yl]-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 67953732
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(cyclohexanecarbonyl)piperidine-2-carboxamide
CID 70865040
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032254
2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515805
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane
CID 166485300
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110208974
N-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 166600949

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]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide (CID 77295527) is N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)C2CC(O)CN2c2ncc(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]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is ZZCMJQDTEVLHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF3N4O3/c1-17(2,3)13-6-14(25-29-13)24-16(28)12-5-10(27)8-26(12)15-11(19)4-9(7-23-15)18(20,21)22/h4,6-7,10,12,27H,5,8H2,1-3H3,(H,24,25,28).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 432.83 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 77295527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).