3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one

C20H13N5O4S — CID 135424873

IUPAC3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccc(-c2nnc(Nc3nc(O)c(C4=c5ccccc5=NC4=O)s3)o2)cc1
InChIInChI=1S/C20H13N5O4S/c1-28-11-8-6-10(7-9-11)18-24-25-19(29-18)23-20-22-17(27)15(30-20)14-12-4-2-3-5-13(12)21-16(14)26/h2-9,27H,1H3,(H,22,23,25)
InChIKeyNGSXNZAQXBYGAN-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.01
Rot. Bonds5

About 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one

3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one (PubChem CID 135424873) has the molecular formula C20H13N5O4S and a molecular weight of 419.42 g/mol. Its IUPAC name is 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one
PubChem CID135424873
Molecular FormulaC20H13N5O4S
Molecular Weight419.42 g/mol
Exact Mass419.07
IUPAC Name3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one
SMILESCOc1ccc(-c2nnc(Nc3nc(O)c(C4=c5ccccc5=NC4=O)s3)o2)cc1
InChIInChI=1S/C20H13N5O4S/c1-28-11-8-6-10(7-9-11)18-24-25-19(29-18)23-20-22-17(27)15(30-20)14-12-4-2-3-5-13(12)21-16(14)26/h2-9,27H,1H3,(H,22,23,25)
InChIKeyNGSXNZAQXBYGAN-UHFFFAOYSA-N
XLogP2.01
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-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

3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 135505662
3-[4-hydroxy-2-[[5-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methoxyindol-2-one
CID 155816925
3-[2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)amino]-4-hydroxy-1,3-thiazol-5-yl]-5-methoxyindol-2-one
CID 155515174
3-[[4-hydroxy-5-(2-oxoindol-3-yl)-1,3-thiazol-2-yl]amino]-4-methylbenzoic acid
CID 4761848
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 6622265
5-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110023
[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521216
1-amino-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 71521325
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 73387508
3-[2-(3-chloro-4-methylanilino)-4-hydroxy-1,3-thiazol-5-yl]-5-methylindol-2-one
CID 1228580
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 155807608
N-(2,4-dimethylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 122395303

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one (CID 135424873) is 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one is COc1ccc(-c2nnc(Nc3nc(O)c(C4=c5ccccc5=NC4=O)s3)o2)cc1.
What is the InChIKey of 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is NGSXNZAQXBYGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O4S/c1-28-11-8-6-10(7-9-11)18-24-25-19(29-18)23-20-22-17(27)15(30-20)14-12-4-2-3-5-13(12)21-16(14)26/h2-9,27H,1H3,(H,22,23,25).
What are the key properties of 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 419.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 135424873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).