propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate

C27H29NO4 — CID 18474957

IUPACpropan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C27H29NO4/c1-18(2)31-26(29)25-24(17-16-20-10-5-4-6-11-20)32-27(30)28(25)19(3)22-15-9-13-21-12-7-8-14-23(21)22/h4-15,18-19,24-25H,16-17H2,1-3H3
InChIKeyODNKILGWZHKLON-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.67
Rot. Bonds7

About propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate

propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 18474957) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID18474957
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Namepropan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCC(C)OC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1cccc2ccccc12
InChIInChI=1S/C27H29NO4/c1-18(2)31-26(29)25-24(17-16-20-10-5-4-6-11-20)32-27(30)28(25)19(3)22-15-9-13-21-12-7-8-14-23(21)22/h4-15,18-19,24-25H,16-17H2,1-3H3
InChIKeyODNKILGWZHKLON-UHFFFAOYSA-N
XLogP5.67
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate (CID 18474957) is propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate is CC(C)OC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1cccc2ccccc12.
What is the InChIKey of propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is ODNKILGWZHKLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-18(2)31-26(29)25-24(17-16-20-10-5-4-6-11-20)32-27(30)28(25)19(3)22-15-9-13-21-12-7-8-14-23(21)22/h4-15,18-19,24-25H,16-17H2,1-3H3.
What are the key properties of propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 431.53 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(1-naphthalen-1-ylethyl)-2-oxo-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).