[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

C19H22ClF3N4O3 — CID 118249912

About [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 118249912) has the molecular formula C19H22ClF3N4O3 and a molecular weight of 446.86 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

• Compound Name: [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
• PubChem CID: 118249912
• Molecular Formula: C19H22ClF3N4O3
• Molecular Weight: 446.86 g/mol
• Exact Mass: 446.13
• IUPAC Name: [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
• SMILES: CC(C)(C)c1cc(NC(=O)OC2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1
• InChI: InChI=1S/C19H22ClF3N4O3/c1-18(2,3)14-8-15(26-30-14)25-17(28)29-12-5-4-6-27(10-12)16-13(20)7-11(9-24-16)19(21,22)23/h7-9,12H,4-6,10H2,1-3H3,(H,25,26,28)
• InChIKey: CKRLDRKOUXEAAZ-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.86
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 118249912) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is CC(C)(C)c1cc(NC(=O)OC2CCCN(c3ncc(C(F)(F)F)cc3Cl)C2)no1.

What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

The InChIKey is CKRLDRKOUXEAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClF3N4O3/c1-18(2,3)14-8-15(26-30-14)25-17(28)29-12-5-4-6-27(10-12)16-13(20)7-11(9-24-16)19(21,22)23/h7-9,12H,4-6,10H2,1-3H3,(H,25,26,28).

What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 446.86 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 118249912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).