(3S)-2-benzyl-3-phenyl-1,2-oxazolidine

C16H17NO — CID 11413758

IUPAC(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
SMILESc1ccc(CN2OCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-3-7-14(8-4-1)13-17-16(11-12-18-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyAMKKGQHJSHOQKY-INIZCTEOSA-N
MW239.32 g/mol
LogP3.57
Rot. Bonds3

About (3S)-2-benzyl-3-phenyl-1,2-oxazolidine

(3S)-2-benzyl-3-phenyl-1,2-oxazolidine (PubChem CID 11413758) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is (3S)-2-benzyl-3-phenyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
PubChem CID11413758
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name(3S)-2-benzyl-3-phenyl-1,2-oxazolidine
SMILESc1ccc(CN2OCC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-3-7-14(8-4-1)13-17-16(11-12-18-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m0/s1
InChIKeyAMKKGQHJSHOQKY-INIZCTEOSA-N
XLogP3.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-Phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclopentane]
CID 3107523
3-Benzyl-4-phenyloxathiazinane 2,2-dioxide
CID 24761763
Oxifentorex
CID 176171
(1S,2R,4R)-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 704394
2-Methyl-2,6-diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 4367643
2,6-Diphenyl-7-oxa-1-azabicyclo[2.2.1]heptane
CID 2729795
(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
4-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 13582988
(3R,4S)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidine
CID 15151214
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
5-(Difluoromethylidene)-2-methyl-3-phenyl-1,2-oxazolidine
CID 134922281
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200

Frequently Asked Questions

What is the IUPAC name of (3S)-2-benzyl-3-phenyl-1,2-oxazolidine?
The IUPAC name of (3S)-2-benzyl-3-phenyl-1,2-oxazolidine (CID 11413758) is (3S)-2-benzyl-3-phenyl-1,2-oxazolidine.
What is the SMILES notation for (3S)-2-benzyl-3-phenyl-1,2-oxazolidine?
The canonical SMILES for (3S)-2-benzyl-3-phenyl-1,2-oxazolidine is c1ccc(CN2OCC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S)-2-benzyl-3-phenyl-1,2-oxazolidine?
The InChIKey is AMKKGQHJSHOQKY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-7-14(8-4-1)13-17-16(11-12-18-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m0/s1.
What are the key properties of (3S)-2-benzyl-3-phenyl-1,2-oxazolidine?
(3S)-2-benzyl-3-phenyl-1,2-oxazolidine has a molecular weight of 239.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-benzyl-3-phenyl-1,2-oxazolidine is sourced from PubChem (CID 11413758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).