3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

C15H15Cl2NO4 — CID 14695564

IUPAC3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2cc(OC(C)C)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H15Cl2NO4/c1-7(2)13-14(19)18(15(20)22-13)11-6-12(21-8(3)4)10(17)5-9(11)16/h5-6,8H,1-4H3
InChIKeyUAWGAUHPTOIDFJ-UHFFFAOYSA-N
MW344.19 g/mol
LogP4.56
Rot. Bonds3

About 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione

3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (PubChem CID 14695564) has the molecular formula C15H15Cl2NO4 and a molecular weight of 344.19 g/mol. Its IUPAC name is 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
PubChem CID14695564
Molecular FormulaC15H15Cl2NO4
Molecular Weight344.19 g/mol
Exact Mass343.04
IUPAC Name3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione
SMILESCC(C)=C1OC(=O)N(c2cc(OC(C)C)c(Cl)cc2Cl)C1=O
InChIInChI=1S/C15H15Cl2NO4/c1-7(2)13-14(19)18(15(20)22-13)11-6-12(21-8(3)4)10(17)5-9(11)16/h5-6,8H,1-4H3
InChIKeyUAWGAUHPTOIDFJ-UHFFFAOYSA-N
XLogP4.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.19
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione (CID 14695564) is 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is CC(C)=C1OC(=O)N(c2cc(OC(C)C)c(Cl)cc2Cl)C1=O.
What is the InChIKey of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
The InChIKey is UAWGAUHPTOIDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO4/c1-7(2)13-14(19)18(15(20)22-13)11-6-12(21-8(3)4)10(17)5-9(11)16/h5-6,8H,1-4H3.
What are the key properties of 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione?
3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione has a molecular weight of 344.19 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-5-propan-2-yloxyphenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 14695564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).