(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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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).