(4R)-4-(4-methylphenyl)-1,3-oxazolidine

C10H13NO — CID 175884904

IUPAC(4R)-4-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc([C@@H]2COCN2)cc1
InChIInChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)10-6-12-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1
InChIKeyKLSXJAZNLNSBSN-JTQLQIEISA-N
MW163.22 g/mol
LogP1.61
Rot. Bonds1

About (4R)-4-(4-methylphenyl)-1,3-oxazolidine

(4R)-4-(4-methylphenyl)-1,3-oxazolidine (PubChem CID 175884904) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (4R)-4-(4-methylphenyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-4-(4-methylphenyl)-1,3-oxazolidine
PubChem CID175884904
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(4R)-4-(4-methylphenyl)-1,3-oxazolidine
SMILESCc1ccc([C@@H]2COCN2)cc1
InChIInChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)10-6-12-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1
InChIKeyKLSXJAZNLNSBSN-JTQLQIEISA-N
XLogP1.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylphenyl)-1,3-oxazolidine?
The IUPAC name of (4R)-4-(4-methylphenyl)-1,3-oxazolidine (CID 175884904) is (4R)-4-(4-methylphenyl)-1,3-oxazolidine.
What is the SMILES notation for (4R)-4-(4-methylphenyl)-1,3-oxazolidine?
The canonical SMILES for (4R)-4-(4-methylphenyl)-1,3-oxazolidine is Cc1ccc([C@@H]2COCN2)cc1.
What is the InChIKey of (4R)-4-(4-methylphenyl)-1,3-oxazolidine?
The InChIKey is KLSXJAZNLNSBSN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO/c1-8-2-4-9(5-3-8)10-6-12-7-11-10/h2-5,10-11H,6-7H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-4-(4-methylphenyl)-1,3-oxazolidine?
(4R)-4-(4-methylphenyl)-1,3-oxazolidine has a molecular weight of 163.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylphenyl)-1,3-oxazolidine is sourced from PubChem (CID 175884904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).