N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide

C19H22ClFN4O2 — CID 91530143

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESC=C(F)c1cnc(N2CCCC2C(=O)Nc2cc(C(C)(C)C)no2)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O2/c1-11(21)12-8-13(20)17(22-10-12)25-7-5-6-14(25)18(26)23-16-9-15(24-27-16)19(2,3)4/h8-10,14H,1,5-7H2,2-4H3,(H,23,26)
InChIKeySDNKEATUECYIQI-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.57
Rot. Bonds4

About N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 91530143) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID91530143
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESC=C(F)c1cnc(N2CCCC2C(=O)Nc2cc(C(C)(C)C)no2)c(Cl)c1
InChIInChI=1S/C19H22ClFN4O2/c1-11(21)12-8-13(20)17(22-10-12)25-7-5-6-14(25)18(26)23-16-9-15(24-27-16)19(2,3)4/h8-10,14H,1,5-7H2,2-4H3,(H,23,26)
InChIKeySDNKEATUECYIQI-UHFFFAOYSA-N
XLogP4.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxamide
CID 67953320
1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide
CID 91501239
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
N'-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N'-(4-methylbenzoyl)pyrrolidine-2-carbohydrazide
CID 110208536
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-cyclopentyl-4-hydroxypyrrolidine-2-carboxamide
CID 67953276
(2S)-1-(4-chlorophenyl)-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46843430
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953390
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 77295214
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 103583254
1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331240
5-chloro-6-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 43187330

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 91530143) is N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide is C=C(F)c1cnc(N2CCCC2C(=O)Nc2cc(C(C)(C)C)no2)c(Cl)c1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is SDNKEATUECYIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-11(21)12-8-13(20)17(22-10-12)25-7-5-6-14(25)18(26)23-16-9-15(24-27-16)19(2,3)4/h8-10,14H,1,5-7H2,2-4H3,(H,23,26).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 392.86 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(1-fluoroethenyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91530143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).