(4S)-4-phenyl-1,3-oxazolidine

C9H11NO — CID 54050063

IUPAC(4S)-4-phenyl-1,3-oxazolidine
SMILESc1ccc([C@H]2COCN2)cc1
InChIInChI=1S/C9H11NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,9-10H,6-7H2/t9-/m1/s1
InChIKeySBJSTQONOOUZKC-SECBINFHSA-N
MW149.19 g/mol
LogP1.30
Rot. Bonds1

About (4S)-4-phenyl-1,3-oxazolidine

(4S)-4-phenyl-1,3-oxazolidine (PubChem CID 54050063) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (4S)-4-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-phenyl-1,3-oxazolidine
PubChem CID54050063
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(4S)-4-phenyl-1,3-oxazolidine
SMILESc1ccc([C@H]2COCN2)cc1
InChIInChI=1S/C9H11NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,9-10H,6-7H2/t9-/m1/s1
InChIKeySBJSTQONOOUZKC-SECBINFHSA-N
XLogP1.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(4-methylphenyl)-1,3-oxazolidine
CID 175884904
4-(4-methoxyphenyl)-1,3-oxazolidine
CID 86040633
ethane;(2S)-2-phenylaziridine
CID 145185749
4-benzyl-1,3-oxazolidine
CID 22719793
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(3S,4aS,7S,8aS)-3,7-diphenyl-2,3,4,4a,6,7,8,8a-octahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 102169361
ethane;4-phenyl-1,3-oxazolidine-2-thione
CID 54377215
(4S)-4-(2,2-diphenylethyl)-1,3-oxazolidine
CID 135395681
(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane
CID 24741570
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725
(3R,5R)-3-methyl-5-phenylmorpholin-2-one
CID 15042724

Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-1,3-oxazolidine?
The IUPAC name of (4S)-4-phenyl-1,3-oxazolidine (CID 54050063) is (4S)-4-phenyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-phenyl-1,3-oxazolidine?
The canonical SMILES for (4S)-4-phenyl-1,3-oxazolidine is c1ccc([C@H]2COCN2)cc1.
What is the InChIKey of (4S)-4-phenyl-1,3-oxazolidine?
The InChIKey is SBJSTQONOOUZKC-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-8(5-3-1)9-6-11-7-10-9/h1-5,9-10H,6-7H2/t9-/m1/s1.
What are the key properties of (4S)-4-phenyl-1,3-oxazolidine?
(4S)-4-phenyl-1,3-oxazolidine has a molecular weight of 149.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-1,3-oxazolidine is sourced from PubChem (CID 54050063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).