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

C15H22ClNO — CID 18518935

IUPAC2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine
SMILESCC(C)(C)N1OC(c2ccc(Cl)cc2)CC1(C)C
InChIInChI=1S/C15H22ClNO/c1-14(2,3)17-15(4,5)10-13(18-17)11-6-8-12(16)9-7-11/h6-9,13H,10H2,1-5H3
InChIKeySTUXRVSTXIDRNL-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.60
Rot. Bonds1

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

2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine (PubChem CID 18518935) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine.

Molecular Properties

Compound Name2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine
PubChem CID18518935
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine
SMILESCC(C)(C)N1OC(c2ccc(Cl)cc2)CC1(C)C
InChIInChI=1S/C15H22ClNO/c1-14(2,3)17-15(4,5)10-13(18-17)11-6-8-12(16)9-7-11/h6-9,13H,10H2,1-5H3
InChIKeySTUXRVSTXIDRNL-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine?
The IUPAC name of 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine (CID 18518935) is 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine.
What is the SMILES notation for 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine?
The canonical SMILES for 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine is CC(C)(C)N1OC(c2ccc(Cl)cc2)CC1(C)C.
What is the InChIKey of 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine?
The InChIKey is STUXRVSTXIDRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-14(2,3)17-15(4,5)10-13(18-17)11-6-8-12(16)9-7-11/h6-9,13H,10H2,1-5H3.
What are the key properties of 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine?
2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine has a molecular weight of 267.80 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-chlorophenyl)-3,3-dimethyl-1,2-oxazolidine is sourced from PubChem (CID 18518935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).