butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate

C18H20F2N2O5 — CID 73084632

IUPACbutyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCCCCOC(=O)C1CN(c2ccc3c(c2)C(F)(F)C(=O)N3CC)C(=O)O1
InChIInChI=1S/C18H20F2N2O5/c1-3-5-8-26-15(23)14-10-22(17(25)27-14)11-6-7-13-12(9-11)18(19,20)16(24)21(13)4-2/h6-7,9,14H,3-5,8,10H2,1-2H3
InChIKeyHNFIOOHFXPNAQX-UHFFFAOYSA-N
MW382.36 g/mol
LogP2.81
Rot. Bonds6

About butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate

butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate (PubChem CID 73084632) has the molecular formula C18H20F2N2O5 and a molecular weight of 382.36 g/mol. Its IUPAC name is butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namebutyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
PubChem CID73084632
Molecular FormulaC18H20F2N2O5
Molecular Weight382.36 g/mol
Exact Mass382.13
IUPAC Namebutyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate
SMILESCCCCOC(=O)C1CN(c2ccc3c(c2)C(F)(F)C(=O)N3CC)C(=O)O1
InChIInChI=1S/C18H20F2N2O5/c1-3-5-8-26-15(23)14-10-22(17(25)27-14)11-6-7-13-12(9-11)18(19,20)16(24)21(13)4-2/h6-7,9,14H,3-5,8,10H2,1-2H3
InChIKeyHNFIOOHFXPNAQX-UHFFFAOYSA-N
XLogP2.81
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The IUPAC name of butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate (CID 73084632) is butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate is CCCCOC(=O)C1CN(c2ccc3c(c2)C(F)(F)C(=O)N3CC)C(=O)O1.
What is the InChIKey of butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
The InChIKey is HNFIOOHFXPNAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O5/c1-3-5-8-26-15(23)14-10-22(17(25)27-14)11-6-7-13-12(9-11)18(19,20)16(24)21(13)4-2/h6-7,9,14H,3-5,8,10H2,1-2H3.
What are the key properties of butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate?
butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate has a molecular weight of 382.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(1-ethyl-3,3-difluoro-2-oxoindol-5-yl)-2-oxo-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 73084632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).