(5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate

C32H37NO4 — CID 18474965

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2C(c3ccccc3)OC(=O)N2C(C)c2cccc3ccccc23)C1
InChIInChI=1S/C32H37NO4/c1-20(2)25-18-17-21(3)19-28(25)36-31(34)29-30(24-12-6-5-7-13-24)37-32(35)33(29)22(4)26-16-10-14-23-11-8-9-15-27(23)26/h5-16,20-22,25,28-30H,17-19H2,1-4H3
InChIKeyAPNGWLTYXAQLIG-UHFFFAOYSA-N
MW499.65 g/mol
LogP7.47
Rot. Bonds6

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

(5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 18474965) has the molecular formula C32H37NO4 and a molecular weight of 499.65 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
PubChem CID18474965
Molecular FormulaC32H37NO4
Molecular Weight499.65 g/mol
Exact Mass499.27
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)C2C(c3ccccc3)OC(=O)N2C(C)c2cccc3ccccc23)C1
InChIInChI=1S/C32H37NO4/c1-20(2)25-18-17-21(3)19-28(25)36-31(34)29-30(24-12-6-5-7-13-24)37-32(35)33(29)22(4)26-16-10-14-23-11-8-9-15-27(23)26/h5-16,20-22,25,28-30H,17-19H2,1-4H3
InChIKeyAPNGWLTYXAQLIG-UHFFFAOYSA-N
XLogP7.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.65
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 18474965) is (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is CC1CCC(C(C)C)C(OC(=O)C2C(c3ccccc3)OC(=O)N2C(C)c2cccc3ccccc23)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is APNGWLTYXAQLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO4/c1-20(2)25-18-17-21(3)19-28(25)36-31(34)29-30(24-12-6-5-7-13-24)37-32(35)33(29)22(4)26-16-10-14-23-11-8-9-15-27(23)26/h5-16,20-22,25,28-30H,17-19H2,1-4H3.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
(5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 499.65 g/mol, XLogP of 7.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).