5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione

C19H17NO4 — CID 102476767

IUPAC5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione
SMILESCC(=O)CCC1(c2ccccc2)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO4/c1-14(21)12-13-19(15-8-4-2-5-9-15)17(22)20(18(23)24-19)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyCJBAKTWFDUJTLN-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.43
Rot. Bonds5

About 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione

5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione (PubChem CID 102476767) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione
PubChem CID102476767
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione
SMILESCC(=O)CCC1(c2ccccc2)OC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C19H17NO4/c1-14(21)12-13-19(15-8-4-2-5-9-15)17(22)20(18(23)24-19)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyCJBAKTWFDUJTLN-UHFFFAOYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidin-5-yl)methyl acetate
CID 155926943
5-ethenyl-3,5-diphenyl-1,3-oxazolidine-2,4-dione
CID 168864617
1,2,4-tris(3-oxobutyl)-4-phenylpyrazolidine-3,5-dione
CID 14289363
4-(2,4-diphenyl-3,1-benzoxazin-4-yl)butan-2-one
CID 162416101
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
(5R)-5-[(1S)-1-fluoroethyl]-5-methyl-3-phenyl-1,3-oxazolidine-2,4-dione
CID 139049260
5-benzyl-5-fluoro-3-phenyl-1,3-oxazolidine-2,4-dione
CID 132574285
3-(3-oxobutyl)-1-phenylpyrrole-2,5-dione
CID 72723250
3-phenyl-1-oxa-3-azaspiro[4.5]decane-2,4,8-trione
CID 15497951
3-(hydroxymethyl)-1-methyl-3-(3-oxobutyl)indol-2-one
CID 132567366
2-acetyl-4-phenyl-1,4-benzoxazin-3-one
CID 69191965
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792

Frequently Asked Questions

What is the IUPAC name of 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione (CID 102476767) is 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione is CC(=O)CCC1(c2ccccc2)OC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione?
The InChIKey is CJBAKTWFDUJTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-14(21)12-13-19(15-8-4-2-5-9-15)17(22)20(18(23)24-19)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione?
5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione has a molecular weight of 323.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxobutyl)-3,5-diphenyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 102476767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).