3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one

C27H45NO4Sn — CID 11599420

IUPAC3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(OC)c(OC)c1)CCN1CCOC1=O
InChIInChI=1S/C15H18NO4.3C4H9.Sn/c1-18-13-7-6-12(11-14(13)19-2)5-3-4-8-16-9-10-20-15(16)17;3*1-3-4-2;/h5-7,11H,4,8-10H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyQZUQITWSHLKTDC-UHFFFAOYSA-N
MW566.37 g/mol
LogP7.32
Rot. Bonds16

About 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one

3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one (PubChem CID 11599420) has the molecular formula C27H45NO4Sn and a molecular weight of 566.37 g/mol. Its IUPAC name is 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one
PubChem CID11599420
Molecular FormulaC27H45NO4Sn
Molecular Weight566.37 g/mol
Exact Mass567.24
IUPAC Name3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(OC)c(OC)c1)CCN1CCOC1=O
InChIInChI=1S/C15H18NO4.3C4H9.Sn/c1-18-13-7-6-12(11-14(13)19-2)5-3-4-8-16-9-10-20-15(16)17;3*1-3-4-2;/h5-7,11H,4,8-10H2,1-2H3;3*1,3-4H2,2H3;
InChIKeyQZUQITWSHLKTDC-UHFFFAOYSA-N
XLogP7.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.37
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3,4-dimethoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719319
3-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122345737
ethyl (2E)-2-[(3,4-dimethoxyphenyl)methylidene]hexanoate
CID 142710756
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
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2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
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(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 6025938
3-[3-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-oxazolidin-2-one
CID 94599769
3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one
CID 70290547
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829
(E,4E)-4-[(3,4-dimethoxyphenyl)methylidene]-1-piperidin-1-ylhex-2-en-1-one
CID 11956976
3-[(E)-3-phenyl-1-tributylstannylprop-1-enyl]-1,3-oxazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one (CID 11599420) is 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one is CCCC[Sn](CCCC)(CCCC)/C(=C/c1ccc(OC)c(OC)c1)CCN1CCOC1=O.
What is the InChIKey of 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one?
The InChIKey is QZUQITWSHLKTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO4.3C4H9.Sn/c1-18-13-7-6-12(11-14(13)19-2)5-3-4-8-16-9-10-20-15(16)17;3*1-3-4-2;/h5-7,11H,4,8-10H2,1-2H3;3*1,3-4H2,2H3;.
What are the key properties of 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one?
3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one has a molecular weight of 566.37 g/mol, XLogP of 7.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-(3,4-dimethoxyphenyl)-3-tributylstannylbut-3-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11599420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).