(6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

C21H20FN3O3 — CID 58270712

IUPAC(6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(c3ncc(-c4cccc(F)c4)o3)CC2)cn1
InChIInChI=1S/C21H20FN3O3/c1-14-5-6-18(12-23-14)27-21(26)25-9-7-15(8-10-25)20-24-13-19(28-20)16-3-2-4-17(22)11-16/h2-6,11-13,15H,7-10H2,1H3
InChIKeyDMIWTRUHLPSFCH-UHFFFAOYSA-N
MW381.41 g/mol
LogP4.56
Rot. Bonds3

About (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate

(6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate (PubChem CID 58270712) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
PubChem CID58270712
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(c3ncc(-c4cccc(F)c4)o3)CC2)cn1
InChIInChI=1S/C21H20FN3O3/c1-14-5-6-18(12-23-14)27-21(26)25-9-7-15(8-10-25)20-24-13-19(28-20)16-3-2-4-17(22)11-16/h2-6,11-13,15H,7-10H2,1H3
InChIKeyDMIWTRUHLPSFCH-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

Analyze (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate 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 (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate (CID 58270712) is (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate is Cc1ccc(OC(=O)N2CCC(c3ncc(-c4cccc(F)c4)o3)CC2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
The InChIKey is DMIWTRUHLPSFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-5-6-18(12-23-14)27-21(26)25-9-7-15(8-10-25)20-24-13-19(28-20)16-3-2-4-17(22)11-16/h2-6,11-13,15H,7-10H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate?
(6-methyl-3-pyridinyl) 4-[5-(3-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 (6-methyl-3-pyridinyl) 4-[5-(3-fluorophenyl)-1,3-oxazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 58270712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).