5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one

C24H22N2O5 — CID 72711386

IUPAC5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2cccc3[nH]c4ccccc4c23)CN1CCOc1ccccc1O
InChIInChI=1S/C24H22N2O5/c27-20-9-3-4-10-21(20)29-13-12-26-14-16(31-24(26)28)15-30-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,25,27H,12-15H2
InChIKeyIWHKJJOOPPEQLJ-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.31
Rot. Bonds7

About 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one

5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one (PubChem CID 72711386) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one
PubChem CID72711386
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2cccc3[nH]c4ccccc4c23)CN1CCOc1ccccc1O
InChIInChI=1S/C24H22N2O5/c27-20-9-3-4-10-21(20)29-13-12-26-14-16(31-24(26)28)15-30-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,25,27H,12-15H2
InChIKeyIWHKJJOOPPEQLJ-UHFFFAOYSA-N
XLogP4.31
TPSA84.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one (CID 72711386) is 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one is O=C1OC(COc2cccc3[nH]c4ccccc4c23)CN1CCOc1ccccc1O.
What is the InChIKey of 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is IWHKJJOOPPEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c27-20-9-3-4-10-21(20)29-13-12-26-14-16(31-24(26)28)15-30-22-11-5-8-19-23(22)17-6-1-2-7-18(17)25-19/h1-11,16,25,27H,12-15H2.
What are the key properties of 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one?
5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 418.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9H-carbazol-4-yloxymethyl)-3-[2-(2-hydroxyphenoxy)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72711386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).