(4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine

C17H17NO — CID 134855348

IUPAC(4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine
SMILESCC1=NO[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO/c1-13-16(14-8-4-2-5-9-14)12-17(19-18-13)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17-/m1/s1
InChIKeyDPTMXMRZOCUSKU-IAGOWNOFSA-N
MW251.33 g/mol
LogP4.31
Rot. Bonds2

About (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine

(4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine (PubChem CID 134855348) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine.

Molecular Properties

Compound Name(4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine
PubChem CID134855348
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine
SMILESCC1=NO[C@@H](c2ccccc2)C[C@H]1c1ccccc1
InChIInChI=1S/C17H17NO/c1-13-16(14-8-4-2-5-9-14)12-17(19-18-13)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17-/m1/s1
InChIKeyDPTMXMRZOCUSKU-IAGOWNOFSA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine?
The IUPAC name of (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine (CID 134855348) is (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine.
What is the SMILES notation for (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine?
The canonical SMILES for (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine is CC1=NO[C@@H](c2ccccc2)C[C@H]1c1ccccc1.
What is the InChIKey of (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine?
The InChIKey is DPTMXMRZOCUSKU-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H17NO/c1-13-16(14-8-4-2-5-9-14)12-17(19-18-13)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine?
(4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine has a molecular weight of 251.33 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-3-methyl-4,6-diphenyl-5,6-dihydro-4H-oxazine is sourced from PubChem (CID 134855348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).