(3S)-3-phenyl-1,2-oxazolidine;hydrochloride

C9H12ClNO — CID 154648448

IUPAC(3S)-3-phenyl-1,2-oxazolidine;hydrochloride
SMILESCl.c1ccc([C@@H]2CCON2)cc1
InChIInChI=1S/C9H11NO.ClH/c1-2-4-8(5-3-1)9-6-7-11-10-9;/h1-5,9-10H,6-7H2;1H/t9-;/m0./s1
InChIKeyLRFYSCDWYHNOQB-FVGYRXGTSA-N
MW185.65 g/mol
LogP2.07
Rot. Bonds1

About (3S)-3-phenyl-1,2-oxazolidine;hydrochloride

(3S)-3-phenyl-1,2-oxazolidine;hydrochloride (PubChem CID 154648448) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (3S)-3-phenyl-1,2-oxazolidine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-phenyl-1,2-oxazolidine;hydrochloride
PubChem CID154648448
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(3S)-3-phenyl-1,2-oxazolidine;hydrochloride
SMILESCl.c1ccc([C@@H]2CCON2)cc1
InChIInChI=1S/C9H11NO.ClH/c1-2-4-8(5-3-1)9-6-7-11-10-9;/h1-5,9-10H,6-7H2;1H/t9-;/m0./s1
InChIKeyLRFYSCDWYHNOQB-FVGYRXGTSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-1,2-oxazolidine;hydrochloride?
The IUPAC name of (3S)-3-phenyl-1,2-oxazolidine;hydrochloride (CID 154648448) is (3S)-3-phenyl-1,2-oxazolidine;hydrochloride.
What is the SMILES notation for (3S)-3-phenyl-1,2-oxazolidine;hydrochloride?
The canonical SMILES for (3S)-3-phenyl-1,2-oxazolidine;hydrochloride is Cl.c1ccc([C@@H]2CCON2)cc1.
What is the InChIKey of (3S)-3-phenyl-1,2-oxazolidine;hydrochloride?
The InChIKey is LRFYSCDWYHNOQB-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c1-2-4-8(5-3-1)9-6-7-11-10-9;/h1-5,9-10H,6-7H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-3-phenyl-1,2-oxazolidine;hydrochloride?
(3S)-3-phenyl-1,2-oxazolidine;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-1,2-oxazolidine;hydrochloride is sourced from PubChem (CID 154648448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).