[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone

C21H21FN4O2 — CID 110120016

IUPAC[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCCC(c3ncc(Cc4cccc(F)c4)o3)C2)n1
InChIInChI=1S/C21H21FN4O2/c1-14-23-8-7-19(25-14)21(27)26-9-3-5-16(13-26)20-24-12-18(28-20)11-15-4-2-6-17(22)10-15/h2,4,6-8,10,12,16H,3,5,9,11,13H2,1H3
InChIKeyLTAPHBLKWFKLPK-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.52
Rot. Bonds4

About [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone

[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 110120016) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID110120016
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCCC(c3ncc(Cc4cccc(F)c4)o3)C2)n1
InChIInChI=1S/C21H21FN4O2/c1-14-23-8-7-19(25-14)21(27)26-9-3-5-16(13-26)20-24-12-18(28-20)11-15-4-2-6-17(22)10-15/h2,4,6-8,10,12,16H,3,5,9,11,13H2,1H3
InChIKeyLTAPHBLKWFKLPK-UHFFFAOYSA-N
XLogP3.52
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone 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 [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone (CID 110120016) is [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)N2CCCC(c3ncc(Cc4cccc(F)c4)o3)C2)n1.
What is the InChIKey of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is LTAPHBLKWFKLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-23-8-7-19(25-14)21(27)26-9-3-5-16(13-26)20-24-12-18(28-20)11-15-4-2-6-17(22)10-15/h2,4,6-8,10,12,16H,3,5,9,11,13H2,1H3.
What are the key properties of [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 380.42 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 110120016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).