5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole

C18H11Cl2N5O — CID 167933054

IUPAC5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole
SMILESCn1ncc2ccc(-c3noc(-c4[nH]c5ccc(Cl)cc5c4Cl)n3)cc21
InChIInChI=1S/C18H11Cl2N5O/c1-25-14-6-9(2-3-10(14)8-21-25)17-23-18(26-24-17)16-15(20)12-7-11(19)4-5-13(12)22-16/h2-8,22H,1H3
InChIKeyHSDIFNSUGJBYIS-UHFFFAOYSA-N
MW384.23 g/mol
LogP5.08
Rot. Bonds2

About 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole

5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole (PubChem CID 167933054) has the molecular formula C18H11Cl2N5O and a molecular weight of 384.23 g/mol. Its IUPAC name is 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole
PubChem CID167933054
Molecular FormulaC18H11Cl2N5O
Molecular Weight384.23 g/mol
Exact Mass383.03
IUPAC Name5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole
SMILESCn1ncc2ccc(-c3noc(-c4[nH]c5ccc(Cl)cc5c4Cl)n3)cc21
InChIInChI=1S/C18H11Cl2N5O/c1-25-14-6-9(2-3-10(14)8-21-25)17-23-18(26-24-17)16-15(20)12-7-11(19)4-5-13(12)22-16/h2-8,22H,1H3
InChIKeyHSDIFNSUGJBYIS-UHFFFAOYSA-N
XLogP5.08
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.23
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(6-chloro-5-methyl-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole
CID 167835927
6-chloro-2-(1-methylindazol-6-yl)-1,3-benzoxazole
CID 139379765
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
cyclopropyl-[3-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 127868766
4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028422
4-methyl-2-(1-methylindazol-6-yl)-1,3-thiazole
CID 166386367
[3-(3-chloro-1-methylindol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117411447
6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53005998
7-(1-methylindazol-6-yl)isoquinoline
CID 166387565
4-(2-methylpropyl)-7-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-quinoxaline-2,3-dione
CID 53005973
5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030877
4-[3-(1-methylindazol-6-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 139003901

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole (CID 167933054) is 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole is Cn1ncc2ccc(-c3noc(-c4[nH]c5ccc(Cl)cc5c4Cl)n3)cc21.
What is the InChIKey of 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole?
The InChIKey is HSDIFNSUGJBYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N5O/c1-25-14-6-9(2-3-10(14)8-21-25)17-23-18(26-24-17)16-15(20)12-7-11(19)4-5-13(12)22-16/h2-8,22H,1H3.
What are the key properties of 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole?
5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole has a molecular weight of 384.23 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichloro-1H-indol-2-yl)-3-(1-methylindazol-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167933054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).