(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one

C22H25NO4 — CID 100968491

IUPAC(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one
SMILESC[C@H](COCc1ccccc1)[C@H]1C[C@H]2OC[C@@H](c3ccccc3)N2C(=O)O1
InChIInChI=1S/C22H25NO4/c1-16(13-25-14-17-8-4-2-5-9-17)20-12-21-23(22(24)27-20)19(15-26-21)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3/t16-,19+,20-,21-/m1/s1
InChIKeyUHPCSEVQHLLDBA-UMSONDCASA-N
MW367.45 g/mol
LogP4.15
Rot. Bonds6

About (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one

(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one (PubChem CID 100968491) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one.

Molecular Properties

Compound Name(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one
PubChem CID100968491
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one
SMILESC[C@H](COCc1ccccc1)[C@H]1C[C@H]2OC[C@@H](c3ccccc3)N2C(=O)O1
InChIInChI=1S/C22H25NO4/c1-16(13-25-14-17-8-4-2-5-9-17)20-12-21-23(22(24)27-20)19(15-26-21)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3/t16-,19+,20-,21-/m1/s1
InChIKeyUHPCSEVQHLLDBA-UMSONDCASA-N
XLogP4.15
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl (3S,7aR)-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole-6-carboxylate
CID 10042687
(4R,6S)-2,2-dimethyl-4-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxane
CID 56651452
(4R)-3-[(2S,4S)-5-oxo-4-phenylmethoxyoxolan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11462329
2-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]ethanol
CID 102517536
(3R,5S,6S)-3,5-dimethyl-6-[(2S)-1-phenylmethoxypropan-2-yl]oxan-2-one
CID 10989510
(3R,4R)-3-methyl-4-[(2R)-1-phenylmethoxypropan-2-yl]oxetan-2-one
CID 10537649
(2S,3aR,6R,7aR)-2-methoxy-2-methyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-3a,6,7,7a-tetrahydro-3H-furo[3,2-c]pyran-4-one
CID 10892992
trans-(2S,5R)-5-methyl-2-[(2R)-1-phenylmethoxypropan-2-yl]cyclohexan-1-one
CID 10539288
(3R,6R,8aS)-6-benzyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102383128
(3S)-5-(1-amino-2-phenylmethoxyethyl)-3-propan-2-yloxolan-2-one
CID 145469363
(2S)-2-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-[(2S)-1-phenylmethoxypropan-2-yl]-2,3-dihydropyran-6-one
CID 71560102
ethyl (Z)-4-[(4S,6S)-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]but-2-enoate
CID 11015412

Frequently Asked Questions

What is the IUPAC name of (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one?
The IUPAC name of (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one (CID 100968491) is (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one.
What is the SMILES notation for (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one?
The canonical SMILES for (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one is C[C@H](COCc1ccccc1)[C@H]1C[C@H]2OC[C@@H](c3ccccc3)N2C(=O)O1.
What is the InChIKey of (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one?
The InChIKey is UHPCSEVQHLLDBA-UMSONDCASA-N. The full InChI is InChI=1S/C22H25NO4/c1-16(13-25-14-17-8-4-2-5-9-17)20-12-21-23(22(24)27-20)19(15-26-21)18-10-6-3-7-11-18/h2-11,16,19-21H,12-15H2,1H3/t16-,19+,20-,21-/m1/s1.
What are the key properties of (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one?
(3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one has a molecular weight of 367.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8aR)-3-phenyl-7-[(2R)-1-phenylmethoxypropan-2-yl]-3,7,8,8a-tetrahydro-2H-[1,3]oxazolo[3,2-c][1,3]oxazin-5-one is sourced from PubChem (CID 100968491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).