5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine

C12H17NO — CID 82281406

IUPAC5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2NCC(C)(C)O2)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)11-13-8-12(2,3)14-11/h4-7,11,13H,8H2,1-3H3
InChIKeyNFYPCFRHGYMDBL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.39
Rot. Bonds1

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

5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 82281406) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine
PubChem CID82281406
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc(C2NCC(C)(C)O2)cc1
InChIInChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)11-13-8-12(2,3)14-11/h4-7,11,13H,8H2,1-3H3
InChIKeyNFYPCFRHGYMDBL-UHFFFAOYSA-N
XLogP2.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine (CID 82281406) is 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine is Cc1ccc(C2NCC(C)(C)O2)cc1.
What is the InChIKey of 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is NFYPCFRHGYMDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-6-10(7-5-9)11-13-8-12(2,3)14-11/h4-7,11,13H,8H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine?
5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 191.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 82281406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).