3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one

C15H19ClN4O3 — CID 124960798

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cn(C)c([C@@H]2CN(C(=O)CCc3cc(Cl)no3)CCO2)n1
InChIInChI=1S/C15H19ClN4O3/c1-10-8-19(2)15(17-10)12-9-20(5-6-22-12)14(21)4-3-11-7-13(16)18-23-11/h7-8,12H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyGXAZIZOQXIOMDK-LBPRGKRZSA-N
MW338.80 g/mol
LogP1.90
Rot. Bonds4

About 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one

3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 124960798) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID124960798
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one
SMILESCc1cn(C)c([C@@H]2CN(C(=O)CCc3cc(Cl)no3)CCO2)n1
InChIInChI=1S/C15H19ClN4O3/c1-10-8-19(2)15(17-10)12-9-20(5-6-22-12)14(21)4-3-11-7-13(16)18-23-11/h7-8,12H,3-6,9H2,1-2H3/t12-/m0/s1
InChIKeyGXAZIZOQXIOMDK-LBPRGKRZSA-N
XLogP1.90
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 125010039
3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(1-methyltetrazol-5-yl)morpholin-4-yl]propan-1-one;formic acid
CID 166598459
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124989348
1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 124957810
1-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 110105066
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
(3-cyclohexyl-1,2-oxazol-5-yl)-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105329
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
(6S)-1-acetyl-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124999845
(6R)-1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 125015697

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one (CID 124960798) is 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one is Cc1cn(C)c([C@@H]2CN(C(=O)CCc3cc(Cl)no3)CCO2)n1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is GXAZIZOQXIOMDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-10-8-19(2)15(17-10)12-9-20(5-6-22-12)14(21)4-3-11-7-13(16)18-23-11/h7-8,12H,3-6,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one?
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 338.80 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124960798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).