[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone

C18H24N2O3 — CID 97465571

IUPAC[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C2=NO[C@](C)(C(=O)N3CCC(C)CC3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-8-10-20(11-9-13)17(21)18(2)12-16(19-23-18)14-4-6-15(22-3)7-5-14/h4-7,13H,8-12H2,1-3H3/t18-/m0/s1
InChIKeyQBKUWYRFBBIPCE-SFHVURJKSA-N
MW316.40 g/mol
LogP2.84
Rot. Bonds3

About [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone

[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 97465571) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID97465571
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(C2=NO[C@](C)(C(=O)N3CCC(C)CC3)C2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-8-10-20(11-9-13)17(21)18(2)12-16(19-23-18)14-4-6-15(22-3)7-5-14/h4-7,13H,8-12H2,1-3H3/t18-/m0/s1
InChIKeyQBKUWYRFBBIPCE-SFHVURJKSA-N
XLogP2.84
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 91946028
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 97465565
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 98882327
(4-ethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 91946021
[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 91946634
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 40503563
azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100815726
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 100815735
[(5S)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97465323
[4-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 171133397

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone (CID 97465571) is [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(C2=NO[C@](C)(C(=O)N3CCC(C)CC3)C2)cc1.
What is the InChIKey of [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QBKUWYRFBBIPCE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-8-10-20(11-9-13)17(21)18(2)12-16(19-23-18)14-4-6-15(22-3)7-5-14/h4-7,13H,8-12H2,1-3H3/t18-/m0/s1.
What are the key properties of [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone?
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 97465571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).