3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one

C20H16N4O3 — CID 100690024

IUPAC3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C20H16N4O3/c25-20-24(9-10-26-20)15-7-5-13(6-8-15)19-22-18(27-23-19)11-14-12-21-17-4-2-1-3-16(14)17/h1-8,12,21H,9-11H2
InChIKeyOVCXLQILVSHSCB-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.77
Rot. Bonds4

About 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one

3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 100690024) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one
PubChem CID100690024
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C20H16N4O3/c25-20-24(9-10-26-20)15-7-5-13(6-8-15)19-22-18(27-23-19)11-14-12-21-17-4-2-1-3-16(14)17/h1-8,12,21H,9-11H2
InChIKeyOVCXLQILVSHSCB-UHFFFAOYSA-N
XLogP3.77
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-(1H-indol-3-ylmethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104106
5-(1H-indol-3-ylmethyl)-3-[5-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-yl]-1,2,4-oxadiazole
CID 118721831
3-[5-(4-bromophenyl)furan-2-yl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 118722142
5-(1H-indol-3-ylmethyl)-3-[3-(3-methylphenyl)phenyl]-1,2,4-oxadiazole
CID 127027705
5-(1H-indol-3-ylmethyl)-3-[6-(3-methylphenyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 127028684
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 45268094
3-[3-(4-ethoxyphenyl)phenyl]-5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole
CID 127028022
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
5-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104110
3-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 139544145
4-(1H-indol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 46412931
6-[5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl]-4-propyl-1,4-benzoxazin-3-one
CID 53032063

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one (CID 100690024) is 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OVCXLQILVSHSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-20-24(9-10-26-20)15-7-5-13(6-8-15)19-22-18(27-23-19)11-14-12-21-17-4-2-1-3-16(14)17/h1-8,12,21H,9-11H2.
What are the key properties of 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one?
3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 360.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100690024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).