(4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine

C26H23NOS — CID 10408518

IUPAC(4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESc1ccc(C(c2ccccc2)N2C(c3cccs3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H23NOS/c1-4-11-20(12-5-1)23-19-28-26(24-17-10-18-29-24)27(23)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18,23,25-26H,19H2/t23-,26?/m0/s1
InChIKeyBSHJWPGYRJSXGF-ZZHFZYNASA-N
MW397.54 g/mol
LogP6.61
Rot. Bonds5

About (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine

(4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine (PubChem CID 10408518) has the molecular formula C26H23NOS and a molecular weight of 397.54 g/mol. Its IUPAC name is (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name(4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
PubChem CID10408518
Molecular FormulaC26H23NOS
Molecular Weight397.54 g/mol
Exact Mass397.15
IUPAC Name(4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESc1ccc(C(c2ccccc2)N2C(c3cccs3)OC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C26H23NOS/c1-4-11-20(12-5-1)23-19-28-26(24-17-10-18-29-24)27(23)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18,23,25-26H,19H2/t23-,26?/m0/s1
InChIKeyBSHJWPGYRJSXGF-ZZHFZYNASA-N
XLogP6.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.54
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
CID 10548499
(2R,4R)-3-benzyl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine
CID 11782223
(2S,4R)-2-methyl-4-phenyl-3-propan-2-yl-1,3-oxazolidine
CID 102061324
(2R,4R)-2-(4-bromophenyl)-3-methyl-4-phenyl-1,3-oxazolidine
CID 14738791
(2S)-4-benzhydryl-2-phenyl-1-propan-2-ylpiperazine
CID 164925008
(5S,7S)-4-benzyl-7-phenyl-5-thiophen-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 92715298
2-chloro-2-phenyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 60953082
(3R,7aS)-3-phenyl-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b][1,3]oxazole
CID 25229090
(2S,5R)-1-benzhydrylpyrrolidine-2,5-dicarbonitrile
CID 11500212
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 15305241
1-benzhydryl-4-[[(2R)-oxiran-2-yl]methyl]piperazine
CID 34180767

Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The IUPAC name of (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine (CID 10408518) is (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine.
What is the SMILES notation for (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The canonical SMILES for (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine is c1ccc(C(c2ccccc2)N2C(c3cccs3)OC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
The InChIKey is BSHJWPGYRJSXGF-ZZHFZYNASA-N. The full InChI is InChI=1S/C26H23NOS/c1-4-11-20(12-5-1)23-19-28-26(24-17-10-18-29-24)27(23)25(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-18,23,25-26H,19H2/t23-,26?/m0/s1.
What are the key properties of (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine?
(4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 397.54 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzhydryl-4-phenyl-2-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 10408518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).