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

C21H15N5O4S — CID 135505662

IUPAC3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILESCOc1ccc(-c2nnc(Nc3nc(O)c(C4=c5cc(C)ccc5=NC4=O)s3)o2)cc1
InChIInChI=1S/C21H15N5O4S/c1-10-3-8-14-13(9-10)15(17(27)22-14)16-18(28)23-21(31-16)24-20-26-25-19(30-20)11-4-6-12(29-2)7-5-11/h3-9,28H,1-2H3,(H,23,24,26)
InChIKeyWVQGIZZYELWATM-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.32
Rot. Bonds5

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

3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one (PubChem CID 135505662) has the molecular formula C21H15N5O4S and a molecular weight of 433.45 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]-5-methylindol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
PubChem CID135505662
Molecular FormulaC21H15N5O4S
Molecular Weight433.45 g/mol
Exact Mass433.08
IUPAC Name3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one
SMILESCOc1ccc(-c2nnc(Nc3nc(O)c(C4=c5cc(C)ccc5=NC4=O)s3)o2)cc1
InChIInChI=1S/C21H15N5O4S/c1-10-3-8-14-13(9-10)15(17(27)22-14)16-18(28)23-21(31-16)24-20-26-25-19(30-20)11-4-6-12(29-2)7-5-11/h3-9,28H,1-2H3,(H,23,24,26)
InChIKeyWVQGIZZYELWATM-UHFFFAOYSA-N
XLogP2.32
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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]-5-methylindol-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]-5-methylindol-2-one (CID 135505662) is 3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-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]-5-methylindol-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]-5-methylindol-2-one is COc1ccc(-c2nnc(Nc3nc(O)c(C4=c5cc(C)ccc5=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]-5-methylindol-2-one?
The InChIKey is WVQGIZZYELWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O4S/c1-10-3-8-14-13(9-10)15(17(27)22-14)16-18(28)23-21(31-16)24-20-26-25-19(30-20)11-4-6-12(29-2)7-5-11/h3-9,28H,1-2H3,(H,23,24,26).
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]-5-methylindol-2-one?
3-[4-hydroxy-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]-5-methylindol-2-one has a molecular weight of 433.45 g/mol, XLogP of 2.32, 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]-5-methylindol-2-one is sourced from PubChem (CID 135505662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).