(3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one

C19H18FNO3 — CID 11759217

IUPAC(3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one
SMILESO=C1O[C@H](CF)[C@@H]2[C@H]1[C@@H](c1ccccc1)ON2Cc1ccccc1
InChIInChI=1S/C19H18FNO3/c20-11-15-17-16(19(22)23-15)18(14-9-5-2-6-10-14)24-21(17)12-13-7-3-1-4-8-13/h1-10,15-18H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyUZZPLZHDGOURJF-XMTFNYHQSA-N
MW327.36 g/mol
LogP3.05
Rot. Bonds4

About (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one

(3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one (PubChem CID 11759217) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one.

Molecular Properties

Compound Name(3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one
PubChem CID11759217
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one
SMILESO=C1O[C@H](CF)[C@@H]2[C@H]1[C@@H](c1ccccc1)ON2Cc1ccccc1
InChIInChI=1S/C19H18FNO3/c20-11-15-17-16(19(22)23-15)18(14-9-5-2-6-10-14)24-21(17)12-13-7-3-1-4-8-13/h1-10,15-18H,11-12H2/t15-,16+,17-,18-/m1/s1
InChIKeyUZZPLZHDGOURJF-XMTFNYHQSA-N
XLogP3.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-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

ethyl (3S,4R,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
CID 391367
(3S,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134924958
(3R,3aR,6aR)-2-benzyl-3-phenyl-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 134925203
Ethyl 2-methyl-3,5-diphenyl-5-(trifluoromethyl)-4-isoxazolidinecarboxylate
CID 496477
(3S,3aS,6aS)-2-benzyl-3-[(1S)-1-phenylmethoxyethyl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 101696555
(3S,3aR,6aR)-2-benzyl-3-[(1S)-1-phenylmethoxyethyl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 101696556
(3R,3aR,6aR)-2-benzyl-3-[(1S)-1-phenylmethoxyethyl]-3,3a,6,6a-tetrahydrofuro[2,3-d][1,2]oxazol-5-one
CID 101696557
(3R,3aR,6R,6aR)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one
CID 10806105
(3S,4S,5S)-4-(benzylamino)-5-(fluoromethyl)-3-[(S)-hydroxy(phenyl)methyl]oxolan-2-one
CID 10860469
(3R,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-methyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one
CID 21673536
ethyl (3R,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
CID 92525610
ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
CID 92859197

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one?
The IUPAC name of (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one (CID 11759217) is (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one.
What is the SMILES notation for (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one?
The canonical SMILES for (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one is O=C1O[C@H](CF)[C@@H]2[C@H]1[C@@H](c1ccccc1)ON2Cc1ccccc1.
What is the InChIKey of (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one?
The InChIKey is UZZPLZHDGOURJF-XMTFNYHQSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-11-15-17-16(19(22)23-15)18(14-9-5-2-6-10-14)24-21(17)12-13-7-3-1-4-8-13/h1-10,15-18H,11-12H2/t15-,16+,17-,18-/m1/s1.
What are the key properties of (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one?
(3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one has a molecular weight of 327.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6S,6aS)-1-benzyl-6-(fluoromethyl)-3-phenyl-3,3a,6,6a-tetrahydrofuro[3,4-c][1,2]oxazol-4-one is sourced from PubChem (CID 11759217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).