[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C22H22FN3O2 — CID 124998304

IUPAC[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)n1
InChIInChI=1S/C22H22FN3O2/c1-15-6-4-10-20(25-15)22(27)26-11-5-8-17(14-26)21-24-13-18(28-21)12-16-7-2-3-9-19(16)23/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3/t17-/m0/s1
InChIKeyRGSMLMQMKDQHMX-KRWDZBQOSA-N
MW379.44 g/mol
LogP4.13
Rot. Bonds4

About [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 124998304) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID124998304
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)n1
InChIInChI=1S/C22H22FN3O2/c1-15-6-4-10-20(25-15)22(27)26-11-5-8-17(14-26)21-24-13-18(28-21)12-16-7-2-3-9-19(16)23/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3/t17-/m0/s1
InChIKeyRGSMLMQMKDQHMX-KRWDZBQOSA-N
XLogP4.13
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124952533
[(3S)-3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124990496
[(3R)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124949968
[(3R)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 125004088
[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 110120018
[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 124962015
5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole
CID 124978728
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129459950
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110119365
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 110119963
5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole
CID 124947832
[(3S)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 124996549

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 124998304) is [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4F)o3)C2)n1.
What is the InChIKey of [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is RGSMLMQMKDQHMX-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-6-4-10-20(25-15)22(27)26-11-5-8-17(14-26)21-24-13-18(28-21)12-16-7-2-3-9-19(16)23/h2-4,6-7,9-10,13,17H,5,8,11-12,14H2,1H3/t17-/m0/s1.
What are the key properties of [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 124998304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).