3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one

C16H10ClN3O3 — CID 102263352

IUPAC3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H10ClN3O3/c17-10-7-5-9(6-8-10)13-19-20-15(23-13)16(22)11-3-1-2-4-12(11)18-14(16)21/h1-8,22H,(H,18,21)
InChIKeyNODZOHYSYVKVJT-UHFFFAOYSA-N
MW327.73 g/mol
LogP2.58
Rot. Bonds2

About 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one

3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one (PubChem CID 102263352) has the molecular formula C16H10ClN3O3 and a molecular weight of 327.73 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one
PubChem CID102263352
Molecular FormulaC16H10ClN3O3
Molecular Weight327.73 g/mol
Exact Mass327.04
IUPAC Name3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1(O)c1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C16H10ClN3O3/c17-10-7-5-9(6-8-10)13-19-20-15(23-13)16(22)11-3-1-2-4-12(11)18-14(16)21/h1-8,22H,(H,18,21)
InChIKeyNODZOHYSYVKVJT-UHFFFAOYSA-N
XLogP2.58
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[2-[5-(4-chlorophenyl)furan-2-yl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 41368279
3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83037208
(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
CID 122221121
2-(4-chlorophenyl)-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746094
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3-(2-fluoro-5-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 163232497
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
3-(4-bromo-1,3-thiazol-5-yl)-3-hydroxy-1H-indol-2-one
CID 114102823
3-hydroxy-3-(2-methyl-1H-indol-3-yl)-1H-indol-2-one
CID 4555359
2-(4-chlorophenyl)-1,3-benzoxazin-4-one
CID 754553
(3R)-4'-[(4-chlorophenyl)-hydroxymethylidene]spiro[1H-indole-3,5'-oxolane]-2,2',3'-trione
CID 95166402
3,3-dichloro-1H-indol-2-one
CID 719018

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one (CID 102263352) is 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one is O=C1Nc2ccccc2C1(O)c1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one?
The InChIKey is NODZOHYSYVKVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3/c17-10-7-5-9(6-8-10)13-19-20-15(23-13)16(22)11-3-1-2-4-12(11)18-14(16)21/h1-8,22H,(H,18,21).
What are the key properties of 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one?
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one has a molecular weight of 327.73 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 102263352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).