(2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

C21H20FN3O3 — CID 58270754

IUPAC(2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)co2)CC1
InChIInChI=1S/C21H20FN3O3/c1-14-19(3-2-10-23-14)28-21(26)25-11-8-16(9-12-25)20-24-18(13-27-20)15-4-6-17(22)7-5-15/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyOVMAUPQICPVIMS-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.56
Rot. Bonds3

About (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

(2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate (PubChem CID 58270754) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
PubChem CID58270754
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCc1ncccc1OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)co2)CC1
InChIInChI=1S/C21H20FN3O3/c1-14-19(3-2-10-23-14)28-21(26)25-11-8-16(9-12-25)20-24-18(13-27-20)15-4-6-17(22)7-5-15/h2-7,10,13,16H,8-9,11-12H2,1H3
InChIKeyOVMAUPQICPVIMS-UHFFFAOYSA-N
XLogP4.56
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyl-3-pyridinyl) 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 58270829
(2-methyl-3-pyridinyl) 4-(2-phenyl-4H-imidazol-5-yl)piperidine-1-carboxylate
CID 58270760
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
(2-methyl-3-pyridinyl) 4-[[(5-methylthiophene-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 137385281
2-amino-1-[3-(4-phenyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 141175304
(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
CID 153394093
tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 59486870
(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 142509340
(2,6-dimethyl-3-pyridinyl) 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270804
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53003960
pyridin-3-yl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270813
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-[3-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]piperidin-1-yl]methanone
CID 95843926

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate (CID 58270754) is (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate is Cc1ncccc1OC(=O)N1CCC(c2nc(-c3ccc(F)cc3)co2)CC1.
What is the InChIKey of (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The InChIKey is OVMAUPQICPVIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-19(3-2-10-23-14)28-21(26)25-11-8-16(9-12-25)20-24-18(13-27-20)15-4-6-17(22)7-5-15/h2-7,10,13,16H,8-9,11-12H2,1H3.
What are the key properties of (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
(2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pyridinyl) 4-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).