tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate

C19H23ClFN3O4 — CID 71042651

IUPACtert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ncc(-c3ocnc3CO)cc2Cl)CC1
InChIInChI=1S/C19H23ClFN3O4/c1-18(2,3)28-17(26)24-6-4-19(21,5-7-24)16-13(20)8-12(9-22-16)15-14(10-25)23-11-27-15/h8-9,11,25H,4-7,10H2,1-3H3
InChIKeyJZRCKTOHVCUIBN-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate

tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate (PubChem CID 71042651) has the molecular formula C19H23ClFN3O4 and a molecular weight of 411.86 g/mol. Its IUPAC name is tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
PubChem CID71042651
Molecular FormulaC19H23ClFN3O4
Molecular Weight411.86 g/mol
Exact Mass411.14
IUPAC Nametert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)(c2ncc(-c3ocnc3CO)cc2Cl)CC1
InChIInChI=1S/C19H23ClFN3O4/c1-18(2,3)28-17(26)24-6-4-19(21,5-7-24)16-13(20)8-12(9-22-16)15-14(10-25)23-11-27-15/h8-9,11,25H,4-7,10H2,1-3H3
InChIKeyJZRCKTOHVCUIBN-UHFFFAOYSA-N
XLogP4.08
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate with MolForge

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Related Compounds

4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-4-fluoro-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 71014687
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042662
Ethyl 5-(6-chloro-3-pyridinyl)-1,3-oxazole-4-carboxylate
CID 15123599
[5-[5-chloro-6-[1-[3-chloro-4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
CID 71014547
[5-[5-chloro-6-[1-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
CID 71014548
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-4-fluoro-N-[5-(trifluoromethyl)pyridin-2-yl]piperidine-1-carboxamide
CID 71014562
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71014680
methyl 5-[5-chloro-6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]-3,6-dihydro-2H-pyridin-4-yl]pyridin-3-yl]-1,3-oxazole-4-carboxylate
CID 71042702
2-Tert-butyl-4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylic acid
CID 90374140
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 90380917
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-4-fluoropiperidine-1-carboxamide
CID 90380930
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-N-[5-(1,1-difluoropropyl)pyridin-2-yl]-4-fluoropiperidine-1-carboxamide
CID 131969457

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate (CID 71042651) is tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(F)(c2ncc(-c3ocnc3CO)cc2Cl)CC1.
What is the InChIKey of tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate?
The InChIKey is JZRCKTOHVCUIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN3O4/c1-18(2,3)28-17(26)24-6-4-19(21,5-7-24)16-13(20)8-12(9-22-16)15-14(10-25)23-11-27-15/h8-9,11,25H,4-7,10H2,1-3H3.
What are the key properties of tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate?
tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate has a molecular weight of 411.86 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 71042651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).