N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H17F2N3O3 — CID 23187027

IUPACN-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c(-c3ccc4[nH]ccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17F2N3O3/c1-11(26)24-9-15-10-25(20(27)28-15)14-7-16(21)19(17(22)8-14)13-2-3-18-12(6-13)4-5-23-18/h2-8,15,23H,9-10H2,1H3,(H,24,26)
InChIKeyBLUAMVSNPNJNOU-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.57
Rot. Bonds4

About N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23187027) has the molecular formula C20H17F2N3O3 and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID23187027
Molecular FormulaC20H17F2N3O3
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC NameN-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2cc(F)c(-c3ccc4[nH]ccc4c3)c(F)c2)C(=O)O1
InChIInChI=1S/C20H17F2N3O3/c1-11(26)24-9-15-10-25(20(27)28-15)14-7-16(21)19(17(22)8-14)13-2-3-18-12(6-13)4-5-23-18/h2-8,15,23H,9-10H2,1H3,(H,24,26)
InChIKeyBLUAMVSNPNJNOU-UHFFFAOYSA-N
XLogP3.57
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23187027) is N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(F)c(-c3ccc4[nH]ccc4c3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BLUAMVSNPNJNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3/c1-11(26)24-9-15-10-25(20(27)28-15)14-7-16(21)19(17(22)8-14)13-2-3-18-12(6-13)4-5-23-18/h2-8,15,23H,9-10H2,1H3,(H,24,26).
What are the key properties of N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 385.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3,5-difluoro-4-(1H-indol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23187027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).