methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

C23H27NO4 — CID 18474945

IUPACmethyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C2CCCCC2)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C23H27NO4/c1-15(18-14-8-12-16-9-6-7-13-19(16)18)24-20(22(25)27-2)21(28-23(24)26)17-10-4-3-5-11-17/h6-9,12-15,17,20-21H,3-5,10-11H2,1-2H3
InChIKeyPCUHALYMZYKJBB-UHFFFAOYSA-N
MW381.47 g/mol
LogP4.84
Rot. Bonds4

About methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 18474945) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID18474945
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namemethyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C2CCCCC2)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C23H27NO4/c1-15(18-14-8-12-16-9-6-7-13-19(16)18)24-20(22(25)27-2)21(28-23(24)26)17-10-4-3-5-11-17/h6-9,12-15,17,20-21H,3-5,10-11H2,1-2H3
InChIKeyPCUHALYMZYKJBB-UHFFFAOYSA-N
XLogP4.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 18474945) is methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(C2CCCCC2)OC(=O)N1C(C)c1cccc2ccccc12.
What is the InChIKey of methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is PCUHALYMZYKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15(18-14-8-12-16-9-6-7-13-19(16)18)24-20(22(25)27-2)21(28-23(24)26)17-10-4-3-5-11-17/h6-9,12-15,17,20-21H,3-5,10-11H2,1-2H3.
What are the key properties of methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 381.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclohexyl-3-(1-naphthalen-1-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).