5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine

C17H18ClNO — CID 58312450

IUPAC5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine
SMILESCN1OC(c2ccc(Cl)cc2)CC1(C)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-17(14-6-4-3-5-7-14)12-16(20-19(17)2)13-8-10-15(18)11-9-13/h3-11,16H,12H2,1-2H3
InChIKeyRCMPNCBDPSBNSE-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.56
Rot. Bonds2

About 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine

5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine (PubChem CID 58312450) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine
PubChem CID58312450
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine
SMILESCN1OC(c2ccc(Cl)cc2)CC1(C)c1ccccc1
InChIInChI=1S/C17H18ClNO/c1-17(14-6-4-3-5-7-14)12-16(20-19(17)2)13-8-10-15(18)11-9-13/h3-11,16H,12H2,1-2H3
InChIKeyRCMPNCBDPSBNSE-UHFFFAOYSA-N
XLogP4.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine (CID 58312450) is 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine is CN1OC(c2ccc(Cl)cc2)CC1(C)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine?
The InChIKey is RCMPNCBDPSBNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-17(14-6-4-3-5-7-14)12-16(20-19(17)2)13-8-10-15(18)11-9-13/h3-11,16H,12H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine?
5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine has a molecular weight of 287.79 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,3-dimethyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 58312450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).