ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate

C16H16Cl2N2O4 — CID 95560858

IUPACethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C16H16Cl2N2O4/c1-2-22-15(21)13-9-24-16(19-13)20-5-6-23-14(8-20)10-3-4-11(17)12(18)7-10/h3-4,7,9,14H,2,5-6,8H2,1H3/t14-/m1/s1
InChIKeyPLIMJLLONMIWIK-CQSZACIVSA-N
MW371.22 g/mol
LogP3.74
Rot. Bonds4

About ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate

ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 95560858) has the molecular formula C16H16Cl2N2O4 and a molecular weight of 371.22 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID95560858
Molecular FormulaC16H16Cl2N2O4
Molecular Weight371.22 g/mol
Exact Mass370.05
IUPAC Nameethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1
InChIInChI=1S/C16H16Cl2N2O4/c1-2-22-15(21)13-9-24-16(19-13)20-5-6-23-14(8-20)10-3-4-11(17)12(18)7-10/h3-4,7,9,14H,2,5-6,8H2,1H3/t14-/m1/s1
InChIKeyPLIMJLLONMIWIK-CQSZACIVSA-N
XLogP3.74
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate with MolForge

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Related Compounds

4-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-6-methylpyrimidin-2-amine
CID 95175522
2-(3,4-dichlorophenyl)-4-(2,5-dimethyl-1,2,4-triazol-3-yl)morpholine
CID 135106958
ethyl 2-[3-(methylcarbamoyl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 104530088
2-(3,4-dichlorophenyl)-4-(4-methylpyrimidin-2-yl)morpholine
CID 56880782
4-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentan-1-one
CID 120562102
ethyl 2-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 69360773
ethyl 2-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-1,3-oxazole-4-carboxylate
CID 70704972
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
2-amino-1-[2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methoxypropan-1-one
CID 120988781
(2R)-2-(3,4-dichlorophenyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 95551468
2-(3,4-dichlorophenyl)-4-(5-methoxypyrimidin-2-yl)morpholine
CID 56868196
ethyl 2-(3-methoxy-3-methylpiperidin-1-yl)-1,3-oxazole-4-carboxylate
CID 107393013

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate (CID 95560858) is ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1.
What is the InChIKey of ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is PLIMJLLONMIWIK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4/c1-2-22-15(21)13-9-24-16(19-13)20-5-6-23-14(8-20)10-3-4-11(17)12(18)7-10/h3-4,7,9,14H,2,5-6,8H2,1H3/t14-/m1/s1.
What are the key properties of ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 371.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 95560858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).