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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).