[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C18H24N2O3 — CID 51409179

IUPAC[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(C2=NO[C@H](C(=O)N3[C@H](C)CCC[C@H]3C)C2)c1
InChIInChI=1S/C18H24N2O3/c1-12-6-4-7-13(2)20(12)18(21)17-11-16(19-23-17)14-8-5-9-15(10-14)22-3/h5,8-10,12-13,17H,4,6-7,11H2,1-3H3/t12-,13-,17+/m1/s1
InChIKeyBUEYRBXARZZARL-XNJGSVPQSA-N
MW316.40 g/mol
LogP2.98
Rot. Bonds3

About [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 51409179) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
PubChem CID51409179
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
SMILESCOc1cccc(C2=NO[C@H](C(=O)N3[C@H](C)CCC[C@H]3C)C2)c1
InChIInChI=1S/C18H24N2O3/c1-12-6-4-7-13(2)20(12)18(21)17-11-16(19-23-17)14-8-5-9-15(10-14)22-3/h5,8-10,12-13,17H,4,6-7,11H2,1-3H3/t12-,13-,17+/m1/s1
InChIKeyBUEYRBXARZZARL-XNJGSVPQSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylpiperidin-1-yl)-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 17095720
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 3244043
[4-(furan-2-carbonyl)piperazin-1-yl]-[(5R)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
CID 40503680
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 40503563
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095693
3-(3,5-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150140
(1S)-1-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-(propan-2-ylamino)ethanol
CID 10084954
1-[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113091
(5R)-N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51498169
ethyl 3-[3-(cyclopentyloxymethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 139722263
1-(2,6-dimethylpiperidin-1-yl)-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 42973387

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 51409179) is [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is COc1cccc(C2=NO[C@H](C(=O)N3[C@H](C)CCC[C@H]3C)C2)c1.
What is the InChIKey of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
The InChIKey is BUEYRBXARZZARL-XNJGSVPQSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-6-4-7-13(2)20(12)18(21)17-11-16(19-23-17)14-8-5-9-15(10-14)22-3/h5,8-10,12-13,17H,4,6-7,11H2,1-3H3/t12-,13-,17+/m1/s1.
What are the key properties of [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone?
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 316.40 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(5S)-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 51409179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).