3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole

C19H15N3OS — CID 135976164

IUPAC3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc3c(C)c4sc5ccccc5c4cc3[nH]2)n1
InChIInChI=1S/C19H15N3OS/c1-3-17-21-19(23-22-17)15-8-12-10(2)18-13(9-14(12)20-15)11-6-4-5-7-16(11)24-18/h4-9,20H,3H2,1-2H3
InChIKeyXZTPALDOEQOTHC-UHFFFAOYSA-N
MW333.42 g/mol
LogP5.46
Rot. Bonds2

About 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole

3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole (PubChem CID 135976164) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole
PubChem CID135976164
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole
SMILESCCc1noc(-c2cc3c(C)c4sc5ccccc5c4cc3[nH]2)n1
InChIInChI=1S/C19H15N3OS/c1-3-17-21-19(23-22-17)15-8-12-10(2)18-13(9-14(12)20-15)11-6-4-5-7-16(11)24-18/h4-9,20H,3H2,1-2H3
InChIKeyXZTPALDOEQOTHC-UHFFFAOYSA-N
XLogP5.46
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.42
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole 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-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
2,3,4-trimethyldibenzothiophene
CID 15818020
12-methyl-10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,19-nonaene-17,18-dione
CID 141183385
2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 136829647
3-ethyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 91906883
3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069244
1-methyl-[1]benzothiolo[2,3-c]pyran-3-one
CID 14176043
3-ethyl-5-[1-(1H-indol-3-yl)imidazol-4-yl]-1,2,4-oxadiazole
CID 15069632
3-ethyl-5-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 131159596
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2H-isoquinolin-1-one
CID 95763189
2-dibenzothiophen-4-yl-4-ethyl-6-phenyl-1,3,5-triazine
CID 146367883

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole (CID 135976164) is 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole is CCc1noc(-c2cc3c(C)c4sc5ccccc5c4cc3[nH]2)n1.
What is the InChIKey of 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole?
The InChIKey is XZTPALDOEQOTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-3-17-21-19(23-22-17)15-8-12-10(2)18-13(9-14(12)20-15)11-6-4-5-7-16(11)24-18/h4-9,20H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole?
3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole has a molecular weight of 333.42 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(10-methyl-3H-[1]benzothiolo[2,3-f]indol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 135976164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).