1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C21H21FN4O3 — CID 124956590

IUPAC1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C21H21FN4O3/c22-17-6-1-4-15(10-17)11-18-12-24-20(29-18)16-5-2-8-25(13-16)19(27)14-26-9-3-7-23-21(26)28/h1,3-4,6-7,9-10,12,16H,2,5,8,11,13-14H2/t16-/m1/s1
InChIKeyFSQLRZRVCWMAFM-MRXNPFEDSA-N
MW396.42 g/mol
LogP2.37
Rot. Bonds5

About 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 124956590) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID124956590
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1
InChIInChI=1S/C21H21FN4O3/c22-17-6-1-4-15(10-17)11-18-12-24-20(29-18)16-5-2-8-25(13-16)19(27)14-26-9-3-7-23-21(26)28/h1,3-4,6-7,9-10,12,16H,2,5,8,11,13-14H2/t16-/m1/s1
InChIKeyFSQLRZRVCWMAFM-MRXNPFEDSA-N
XLogP2.37
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 125023481
1-[2-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 124976269
1-[2-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 110119672
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 129457194
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124964915
2-(3-chloro-4-fluorophenoxy)-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119789
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 110119939
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-pyridinyl]methanone
CID 129453940
1-[2-[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 110119562
1-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-quinazolin-4-yloxyethanone
CID 110119612
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 125017531
4-[3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-6-methyl-1H-pyrimidin-2-one
CID 110119966

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 124956590) is 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1.
What is the InChIKey of 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is FSQLRZRVCWMAFM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-17-6-1-4-15(10-17)11-18-12-24-20(29-18)16-5-2-8-25(13-16)19(27)14-26-9-3-7-23-21(26)28/h1,3-4,6-7,9-10,12,16H,2,5,8,11,13-14H2/t16-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 396.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 124956590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).