5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one

C22H22FN3O3 — CID 124999034

IUPAC5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C22H22FN3O3/c1-22(21-25-13-17(29-21)11-15-5-2-3-6-18(15)23)9-4-10-26(14-22)20(28)16-7-8-19(27)24-12-16/h2-3,5-8,12-13H,4,9-11,14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyRMCPOGCRZJPNQZ-QFIPXVFZSA-N
MW395.43 g/mol
LogP3.29
Rot. Bonds4

About 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one

5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 124999034) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID124999034
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESC[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C22H22FN3O3/c1-22(21-25-13-17(29-21)11-15-5-2-3-6-18(15)23)9-4-10-26(14-22)20(28)16-7-8-19(27)24-12-16/h2-3,5-8,12-13H,4,9-11,14H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyRMCPOGCRZJPNQZ-QFIPXVFZSA-N
XLogP3.29
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

1-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124979474
1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124948903
1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone
CID 110111025
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124993154
(5R)-7-[(2-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95730507
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125014318
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124941072
[(3S)-3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 124992944
5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
CID 25446669
N-[3-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-3-yl]-2-(2-methylphenyl)acetamide
CID 166333232
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
5-(2-ethyl-1,4-oxazepane-4-carbonyl)-1H-pyridin-2-one
CID 114217645

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one (CID 124999034) is 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one is C[C@]1(c2ncc(Cc3ccccc3F)o2)CCCN(C(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is RMCPOGCRZJPNQZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-22(21-25-13-17(29-21)11-15-5-2-3-6-18(15)23)9-4-10-26(14-22)20(28)16-7-8-19(27)24-12-16/h2-3,5-8,12-13H,4,9-11,14H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?
5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124999034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).