5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole

C19H19FN4O — CID 124947832

IUPAC5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cc1cnc([C@H]2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C19H19FN4O/c20-17-7-2-1-5-14(17)11-16-12-23-18(25-16)15-6-3-10-24(13-15)19-21-8-4-9-22-19/h1-2,4-5,7-9,12,15H,3,6,10-11,13H2/t15-/m0/s1
InChIKeyCILFYVMHPNYTOO-HNNXBMFYSA-N
MW338.39 g/mol
LogP3.58
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole

5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole (PubChem CID 124947832) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole
PubChem CID124947832
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole
SMILESFc1ccccc1Cc1cnc([C@H]2CCCN(c3ncccn3)C2)o1
InChIInChI=1S/C19H19FN4O/c20-17-7-2-1-5-14(17)11-16-12-23-18(25-16)15-6-3-10-24(13-15)19-21-8-4-9-22-19/h1-2,4-5,7-9,12,15H,3,6,10-11,13H2/t15-/m0/s1
InChIKeyCILFYVMHPNYTOO-HNNXBMFYSA-N
XLogP3.58
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenyl)methyl]-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-oxazole
CID 124978728
[(3R)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 125004088
[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 124998304
5-[(3-chlorophenyl)methyl]-2-[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole
CID 124990277
cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 125001958
[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026997
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131528
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 110131538
[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[6-[(2-fluorophenyl)methyl]-3-pyridinyl]methanone
CID 129459950
5-[(2-chlorophenyl)methyl]-2-(1-pyridin-3-ylsulfonylpiperidin-3-yl)-1,3-oxazole
CID 110120105
[(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 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole (CID 124947832) is 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole is Fc1ccccc1Cc1cnc([C@H]2CCCN(c3ncccn3)C2)o1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole?
The InChIKey is CILFYVMHPNYTOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-17-7-2-1-5-14(17)11-16-12-23-18(25-16)15-6-3-10-24(13-15)19-21-8-4-9-22-19/h1-2,4-5,7-9,12,15H,3,6,10-11,13H2/t15-/m0/s1.
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole?
5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole has a molecular weight of 338.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-oxazole is sourced from PubChem (CID 124947832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).