1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide

C19H23F3N4O3 — CID 91501239

IUPAC1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide
SMILESCCc1cc(C(F)(F)F)cnc1N1CCC1C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C19H23F3N4O3/c1-4-11-7-12(19(20,21)22)9-23-16(11)26-6-5-13(26)17(28)24-15-8-14(25-29-15)18(2,3)10-27/h7-9,13,27H,4-6,10H2,1-3H3,(H,24,28)
InChIKeyBTXAVOOVTKWPMQ-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.14
Rot. Bonds6

About 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide

1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide (PubChem CID 91501239) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide
PubChem CID91501239
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC Name1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide
SMILESCCc1cc(C(F)(F)F)cnc1N1CCC1C(=O)Nc1cc(C(C)(C)CO)no1
InChIInChI=1S/C19H23F3N4O3/c1-4-11-7-12(19(20,21)22)9-23-16(11)26-6-5-13(26)17(28)24-15-8-14(25-29-15)18(2,3)10-27/h7-9,13,27H,4-6,10H2,1-3H3,(H,24,28)
InChIKeyBTXAVOOVTKWPMQ-UHFFFAOYSA-N
XLogP3.14
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxo-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953431
N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazolidine-1-carboxamide
CID 164536728
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-methyl-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]propanamide
CID 44193598
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]azetidine-2-carboxamide
CID 49847676
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[5-(trifluoromethyl)pyridin-2-yl]azetidine-2-carboxamide
CID 49847933
(S)-1-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-azetidine-2-carboxylic acid [3-(2-hydroxy-1,1-dimethyl-ethyl)-isoxazol-5-yl]-amide
CID 49848306
(2S)-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-1-[5-(trifluoromethyl)pyridin-2-yl]azetidine-2-carboxamide
CID 49848307
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-2-carboxamide
CID 67456261
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidine-2-carboxamide
CID 67953262
(2S,4R)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 67953264
(2S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953435
(S)-1-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-azetidine-2-carboxylic acid {3-[1,1-dimethyl-2-(tetrahydro-pyran-2-yloxy)-ethyl]-isoxazol-5-yl}-amide
CID 67953732

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide?
The IUPAC name of 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) is 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide.
What is the SMILES notation for 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide?
The canonical SMILES for 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide is CCc1cc(C(F)(F)F)cnc1N1CCC1C(=O)Nc1cc(C(C)(C)CO)no1.
What is the InChIKey of 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide?
The InChIKey is BTXAVOOVTKWPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4O3/c1-4-11-7-12(19(20,21)22)9-23-16(11)26-6-5-13(26)17(28)24-15-8-14(25-29-15)18(2,3)10-27/h7-9,13,27H,4-6,10H2,1-3H3,(H,24,28).
What are the key properties of 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide?
1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]-N-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]azetidine-2-carboxamide is sourced from PubChem (CID 91501239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).