(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C17H27N3O3 — CID 126803146

IUPAC(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C17H27N3O3/c1-3-15-16(13(2)18-23-15)17(21)20-6-4-5-14(12-20)11-19-7-9-22-10-8-19/h14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyBMWAEPFYMWPAMY-CQSZACIVSA-N
MW321.42 g/mol
LogP1.73
Rot. Bonds4

About (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 126803146) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID126803146
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1onc(C)c1C(=O)N1CCC[C@H](CN2CCOCC2)C1
InChIInChI=1S/C17H27N3O3/c1-3-15-16(13(2)18-23-15)17(21)20-6-4-5-14(12-20)11-19-7-9-22-10-8-19/h14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyBMWAEPFYMWPAMY-CQSZACIVSA-N
XLogP1.73
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-methyl-1-benzofuran-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126800553
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126809350
[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-[3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119071651
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 126804105
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
(2,3-dimethyl-5-methylsulfonylphenyl)-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 154755820
4-methyl-3-[3-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1-(2-phenylethyl)pyridin-2-one
CID 172655374
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 126803146) is (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is CCc1onc(C)c1C(=O)N1CCC[C@H](CN2CCOCC2)C1.
What is the InChIKey of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BMWAEPFYMWPAMY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-15-16(13(2)18-23-15)17(21)20-6-4-5-14(12-20)11-19-7-9-22-10-8-19/h14H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126803146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).