5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one

C26H27NO5 — CID 69170299

IUPAC5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2C(C(O)CCc3ccccc3)OC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO5/c1-30-21-13-9-19(10-14-21)24-25(23(28)17-8-18-6-4-3-5-7-18)32-26(29)27(24)20-11-15-22(31-2)16-12-20/h3-7,9-16,23-25,28H,8,17H2,1-2H3
InChIKeyQFEMZFXJFANDQO-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.76
Rot. Bonds8

About 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one

5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 69170299) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID69170299
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2C(C(O)CCc3ccccc3)OC(=O)N2c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H27NO5/c1-30-21-13-9-19(10-14-21)24-25(23(28)17-8-18-6-4-3-5-7-18)32-26(29)27(24)20-11-15-22(31-2)16-12-20/h3-7,9-16,23-25,28H,8,17H2,1-2H3
InChIKeyQFEMZFXJFANDQO-UHFFFAOYSA-N
XLogP4.76
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-hydroxy-3-phenylpropyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 22460134
(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25064168
(4R)-3,4-bis(4-methoxyphenyl)-5-(3-phenylpropyl)-1,3-oxazolidin-2-one
CID 25064172
(3R,4R)-1,4-bis(4-methoxyphenyl)-3-(4-phenylbutyl)azetidin-2-one
CID 102000373
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(3S,4R)-4-(4-methoxyphenyl)-1-phenyl-3-(2-phenylethylsulfanyl)azetidin-2-one
CID 10691765
(3S,4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(3S,4R)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3S)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one;(4S)-3-[(3R)-3-hydroxy-3-phenylpropyl]-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 159825691
(4R,5S)-5-(4-hydroxyphenyl)-4-[(1R)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69170050
(3S,4R)-3-hydroxy-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 102159226
(3R,4S)-1-(4-methoxyphenyl)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(3-phenylpropyl)azetidin-2-one
CID 10646916
N-[4-[(2S,3R)-1-(4-methoxyphenyl)-4-oxo-3-(3-phenylpropyl)azetidin-2-yl]phenyl]acetamide
CID 10717429

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 69170299) is 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one is COc1ccc(C2C(C(O)CCc3ccccc3)OC(=O)N2c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is QFEMZFXJFANDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-30-21-13-9-19(10-14-21)24-25(23(28)17-8-18-6-4-3-5-7-18)32-26(29)27(24)20-11-15-22(31-2)16-12-20/h3-7,9-16,23-25,28H,8,17H2,1-2H3.
What are the key properties of 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 433.50 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69170299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).