4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one

C21H18N4O3 — CID 24851061

IUPAC4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cn2cc(-c3nc(Cc4ccccc4)no3)c3ccccc32)CO1
InChIInChI=1S/C21H18N4O3/c26-21-22-15(13-27-21)11-25-12-17(16-8-4-5-9-18(16)25)20-23-19(24-28-20)10-14-6-2-1-3-7-14/h1-9,12,15H,10-11,13H2,(H,22,26)
InChIKeyNTLXIWQHGSPFAV-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.39
Rot. Bonds5

About 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one

4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 24851061) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID24851061
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cn2cc(-c3nc(Cc4ccccc4)no3)c3ccccc32)CO1
InChIInChI=1S/C21H18N4O3/c26-21-22-15(13-27-21)11-25-12-17(16-8-4-5-9-18(16)25)20-23-19(24-28-20)10-14-6-2-1-3-7-14/h1-9,12,15H,10-11,13H2,(H,22,26)
InChIKeyNTLXIWQHGSPFAV-UHFFFAOYSA-N
XLogP3.39
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one (CID 24851061) is 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cn2cc(-c3nc(Cc4ccccc4)no3)c3ccccc32)CO1.
What is the InChIKey of 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NTLXIWQHGSPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-21-22-15(13-27-21)11-25-12-17(16-8-4-5-9-18(16)25)20-23-19(24-28-20)10-14-6-2-1-3-7-14/h1-9,12,15H,10-11,13H2,(H,22,26).
What are the key properties of 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one?
4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 374.40 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-benzyl-1,2,4-oxadiazol-5-yl)indol-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24851061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).