(1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one

C24H21NO3 — CID 134192685

IUPAC(1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one
SMILESO=C1OC[C@H](c2ccccc2)N2C1[C@@H](c1ccccc1)O[C@H]2c1ccccc1
InChIInChI=1S/C24H21NO3/c26-24-21-22(18-12-6-2-7-13-18)28-23(19-14-8-3-9-15-19)25(21)20(16-27-24)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21?,22-,23+/m1/s1
InChIKeyGWKMEGVLBXNIFK-GTCWDNOESA-N
MW371.44 g/mol
LogP4.43
Rot. Bonds3

About (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one

(1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one (PubChem CID 134192685) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one.

Molecular Properties

Compound Name(1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one
PubChem CID134192685
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one
SMILESO=C1OC[C@H](c2ccccc2)N2C1[C@@H](c1ccccc1)O[C@H]2c1ccccc1
InChIInChI=1S/C24H21NO3/c26-24-21-22(18-12-6-2-7-13-18)28-23(19-14-8-3-9-15-19)25(21)20(16-27-24)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21?,22-,23+/m1/s1
InChIKeyGWKMEGVLBXNIFK-GTCWDNOESA-N
XLogP4.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one?
The IUPAC name of (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one (CID 134192685) is (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one.
What is the SMILES notation for (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one?
The canonical SMILES for (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one is O=C1OC[C@H](c2ccccc2)N2C1[C@@H](c1ccccc1)O[C@H]2c1ccccc1.
What is the InChIKey of (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one?
The InChIKey is GWKMEGVLBXNIFK-GTCWDNOESA-N. The full InChI is InChI=1S/C24H21NO3/c26-24-21-22(18-12-6-2-7-13-18)28-23(19-14-8-3-9-15-19)25(21)20(16-27-24)17-10-4-1-5-11-17/h1-15,20-23H,16H2/t20-,21?,22-,23+/m1/s1.
What are the key properties of (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one?
(1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one has a molecular weight of 371.44 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S)-1,3,5-triphenyl-3,5,6,8a-tetrahydro-1H-[1,3]oxazolo[4,3-c][1,4]oxazin-8-one is sourced from PubChem (CID 134192685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).