(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole

C17H15NO2 — CID 10333086

IUPAC(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
SMILESc1ccc([C@@H]2O[C@H](c3ccccc3)[C@H]3CON=C23)cc1
InChIInChI=1S/C17H15NO2/c1-3-7-12(8-4-1)16-14-11-19-18-15(14)17(20-16)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2/t14-,16+,17-/m0/s1
InChIKeyZZPZCHKAXXMJHJ-UAGQMJEPSA-N
MW265.31 g/mol
LogP3.50
Rot. Bonds2

About (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole

(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole (PubChem CID 10333086) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
PubChem CID10333086
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
SMILESc1ccc([C@@H]2O[C@H](c3ccccc3)[C@H]3CON=C23)cc1
InChIInChI=1S/C17H15NO2/c1-3-7-12(8-4-1)16-14-11-19-18-15(14)17(20-16)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2/t14-,16+,17-/m0/s1
InChIKeyZZPZCHKAXXMJHJ-UAGQMJEPSA-N
XLogP3.50
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,4R,6R)-6-phenyl-4-prop-2-enyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole
CID 10443802
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(6S)-6-phenyl-3,3a,4,6-tetrahydropyrrolo[3,4-c][1,2]oxazole-5-carbaldehyde
CID 102076200
(2R,3R,6S)-6-methyl-2,3-diphenyloxane
CID 71654456
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
2-(oxiran-2-yl)-3-phenyloxirane
CID 87255492
(3aR,6S)-6-(2-phenylethyl)-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
CID 10889290
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
(4R)-4-phenyl-4,5-dihydro-1,2-oxazole
CID 140967269
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
2-phenyloxirane
CID 7276

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
The IUPAC name of (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole (CID 10333086) is (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole.
What is the SMILES notation for (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
The canonical SMILES for (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole is c1ccc([C@@H]2O[C@H](c3ccccc3)[C@H]3CON=C23)cc1.
What is the InChIKey of (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
The InChIKey is ZZPZCHKAXXMJHJ-UAGQMJEPSA-N. The full InChI is InChI=1S/C17H15NO2/c1-3-7-12(8-4-1)16-14-11-19-18-15(14)17(20-16)13-9-5-2-6-10-13/h1-10,14,16-17H,11H2/t14-,16+,17-/m0/s1.
What are the key properties of (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole?
(3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole has a molecular weight of 265.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6S)-4,6-diphenyl-3,3a,4,6-tetrahydrofuro[3,4-c][1,2]oxazole is sourced from PubChem (CID 10333086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).