[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone

C18H23N3O3 — CID 124988560

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3cc(CC(C)C)no3)CCO2)ccn1
InChIInChI=1S/C18H23N3O3/c1-12(2)8-15-10-16(24-20-15)18(22)21-6-7-23-17(11-21)14-4-5-19-13(3)9-14/h4-5,9-10,12,17H,6-8,11H2,1-3H3/t17-/m0/s1
InChIKeyONOATGWNSZHOQF-KRWDZBQOSA-N
MW329.40 g/mol
LogP2.79
Rot. Bonds4

About [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone (PubChem CID 124988560) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
PubChem CID124988560
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3cc(CC(C)C)no3)CCO2)ccn1
InChIInChI=1S/C18H23N3O3/c1-12(2)8-15-10-16(24-20-15)18(22)21-6-7-23-17(11-21)14-4-5-19-13(3)9-14/h4-5,9-10,12,17H,6-8,11H2,1-3H3/t17-/m0/s1
InChIKeyONOATGWNSZHOQF-KRWDZBQOSA-N
XLogP2.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[2-(2-pyrimidin-4-ylethyl)morpholin-4-yl]methanone
CID 110116424
(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 124943373
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125009661
N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110102646
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
5,6-dimethyl-3-[(2R)-2-(2-methyl-4-pyridinyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124980669
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124988564

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone (CID 124988560) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone is Cc1cc([C@@H]2CN(C(=O)c3cc(CC(C)C)no3)CCO2)ccn1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone?
The InChIKey is ONOATGWNSZHOQF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)8-15-10-16(24-20-15)18(22)21-6-7-23-17(11-21)14-4-5-19-13(3)9-14/h4-5,9-10,12,17H,6-8,11H2,1-3H3/t17-/m0/s1.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone is sourced from PubChem (CID 124988560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).