[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

C17H18Cl2N2O3 — CID 95202636

IUPAC[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H18Cl2N2O3/c1-10(2)16-15(20-9-24-16)17(22)21-5-6-23-14(8-21)11-3-4-12(18)13(19)7-11/h3-4,7,9-10,14H,5-6,8H2,1-2H3/t14-/m0/s1
InChIKeyZULFPYJWQROUAI-AWEZNQCLSA-N
MW369.25 g/mol
LogP4.32
Rot. Bonds3

About [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 95202636) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID95202636
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCC(C)c1ocnc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H18Cl2N2O3/c1-10(2)16-15(20-9-24-16)17(22)21-5-6-23-14(8-21)11-3-4-12(18)13(19)7-11/h3-4,7,9-10,14H,5-6,8H2,1-2H3/t14-/m0/s1
InChIKeyZULFPYJWQROUAI-AWEZNQCLSA-N
XLogP4.32
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 95228845
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-methoxy-2-pyridinyl)methanone
CID 95199203
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364303
(5-chloro-2-pyridinyl)-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 95217596
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 95174642
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 95211473
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 86859216
5-[(2S)-2-(3,4-dichlorophenyl)morpholine-4-carbonyl]-1,2-dihydropyrazol-3-one
CID 95468926
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 95205403
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
[2-(3,4-dichlorophenyl)morpholin-4-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 56757209

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 95202636) is [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is CC(C)c1ocnc1C(=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is ZULFPYJWQROUAI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-10(2)16-15(20-9-24-16)17(22)21-5-6-23-14(8-21)11-3-4-12(18)13(19)7-11/h3-4,7,9-10,14H,5-6,8H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 369.25 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95202636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).