4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide

C21H18ClF4N5O3 — CID 71014562

IUPAC4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc(-c3ocnc3CO)cc2Cl)CC1
InChIInChI=1S/C21H18ClF4N5O3/c22-14-7-12(17-15(10-32)29-11-34-17)8-28-18(14)20(23)3-5-31(6-4-20)19(33)30-16-2-1-13(9-27-16)21(24,25)26/h1-2,7-9,11,32H,3-6,10H2,(H,27,30,33)
InChIKeyRBWYGLUWAZLHHF-UHFFFAOYSA-N
MW499.85 g/mol
LogP4.79
Rot. Bonds4

About 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide

4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (PubChem CID 71014562) has the molecular formula C21H18ClF4N5O3 and a molecular weight of 499.85 g/mol. Its IUPAC name is 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
PubChem CID71014562
Molecular FormulaC21H18ClF4N5O3
Molecular Weight499.85 g/mol
Exact Mass499.10
IUPAC Name4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc(-c3ocnc3CO)cc2Cl)CC1
InChIInChI=1S/C21H18ClF4N5O3/c22-14-7-12(17-15(10-32)29-11-34-17)8-28-18(14)20(23)3-5-31(6-4-20)19(33)30-16-2-1-13(9-27-16)21(24,25)26/h1-2,7-9,11,32H,3-6,10H2,(H,27,30,33)
InChIKeyRBWYGLUWAZLHHF-UHFFFAOYSA-N
XLogP4.79
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.85
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
4-[3-chloro-5-[2-(hydroxymethyl)-1,3-oxazol-5-yl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71042663
2-(4-Chlorophenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 58431667
2-[6-[4-(3-Chloro-2-pyridinyl)piperazin-1-yl]-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58431682
[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
[5-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-2-yl]methanol
CID 71014618
[2-[5-chloro-6-[1-[5-(trifluoromethyl)-2-pyridinyl]-3,4-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-1,3-oxazol-4-yl]methanol
CID 71014655
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
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-2-yl]pyridin-2-yl]-N-[3-chloro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015525
Tert-butyl 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoropiperidine-1-carboxylate
CID 71042651

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide (CID 71014562) is 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc(-c3ocnc3CO)cc2Cl)CC1.
What is the InChIKey of 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
The InChIKey is RBWYGLUWAZLHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF4N5O3/c22-14-7-12(17-15(10-32)29-11-34-17)8-28-18(14)20(23)3-5-31(6-4-20)19(33)30-16-2-1-13(9-27-16)21(24,25)26/h1-2,7-9,11,32H,3-6,10H2,(H,27,30,33).
What are the key properties of 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide?
4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide has a molecular weight of 499.85 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[4-(hydroxymethyl)-1,3-oxazol-5-yl]-2-pyridinyl]-4-fluoro-N-[5-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxamide is sourced from PubChem (CID 71014562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).