6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one

C18H12ClN3O4S — CID 135654711

IUPAC6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CSc3nnc(-c4ccc(O)cc4)o3)c(Cl)cc2N1
InChIInChI=1S/C18H12ClN3O4S/c19-13-7-14-10(6-16(25)20-14)5-12(13)15(24)8-27-18-22-21-17(26-18)9-1-3-11(23)4-2-9/h1-5,7,23H,6,8H2,(H,20,25)
InChIKeyNWVWYOIIBAPMRX-UHFFFAOYSA-N
MW401.83 g/mol
LogP3.57
Rot. Bonds5

About 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one

6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one (PubChem CID 135654711) has the molecular formula C18H12ClN3O4S and a molecular weight of 401.83 g/mol. Its IUPAC name is 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
PubChem CID135654711
Molecular FormulaC18H12ClN3O4S
Molecular Weight401.83 g/mol
Exact Mass401.02
IUPAC Name6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)CSc3nnc(-c4ccc(O)cc4)o3)c(Cl)cc2N1
InChIInChI=1S/C18H12ClN3O4S/c19-13-7-14-10(6-16(25)20-14)5-12(13)15(24)8-27-18-22-21-17(26-18)9-1-3-11(23)4-2-9/h1-5,7,23H,6,8H2,(H,20,25)
InChIKeyNWVWYOIIBAPMRX-UHFFFAOYSA-N
XLogP3.57
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.83
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
CID 8023058
5-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one
CID 45494990
6-chloro-5-[2-(1-methylimidazol-2-yl)sulfanylacetyl]-1,3-dihydroindol-2-one
CID 134065250
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
CID 3730946
1-(2-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7816154
5-(2-bromoacetyl)-6-chloro-1,3-dihydroindol-2-one
CID 10541398
5-[2-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-6-chloro-1,3-dihydroindol-2-one
CID 134065294
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydroxyphenyl)ethanone
CID 7907080
6-chloro-5-[2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one
CID 134065248
6-[2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one
CID 30146500
2-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)ethanone
CID 25156620
1-(2,4-dichlorophenyl)-2-[[5-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 164577047

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one (CID 135654711) is 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)CSc3nnc(-c4ccc(O)cc4)o3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
The InChIKey is NWVWYOIIBAPMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4S/c19-13-7-14-10(6-16(25)20-14)5-12(13)15(24)8-27-18-22-21-17(26-18)9-1-3-11(23)4-2-9/h1-5,7,23H,6,8H2,(H,20,25).
What are the key properties of 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one?
6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one has a molecular weight of 401.83 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 135654711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).