(5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone

C15H9FN4O2S — CID 148733606

IUPAC(5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone
SMILESCc1nc(-c2csc(C(=O)c3c[nH]c4ccc(F)cc34)n2)no1
InChIInChI=1S/C15H9FN4O2S/c1-7-18-14(20-22-7)12-6-23-15(19-12)13(21)10-5-17-11-3-2-8(16)4-9(10)11/h2-6,17H,1H3
InChIKeyOBLQAOJLEASUAK-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.35
Rot. Bonds3

About (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone

(5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone (PubChem CID 148733606) has the molecular formula C15H9FN4O2S and a molecular weight of 328.33 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone
PubChem CID148733606
Molecular FormulaC15H9FN4O2S
Molecular Weight328.33 g/mol
Exact Mass328.04
IUPAC Name(5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone
SMILESCc1nc(-c2csc(C(=O)c3c[nH]c4ccc(F)cc34)n2)no1
InChIInChI=1S/C15H9FN4O2S/c1-7-18-14(20-22-7)12-6-23-15(19-12)13(21)10-5-17-11-3-2-8(16)4-9(10)11/h2-6,17H,1H3
InChIKeyOBLQAOJLEASUAK-UHFFFAOYSA-N
XLogP3.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone (CID 148733606) is (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone is Cc1nc(-c2csc(C(=O)c3c[nH]c4ccc(F)cc34)n2)no1.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone?
The InChIKey is OBLQAOJLEASUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O2S/c1-7-18-14(20-22-7)12-6-23-15(19-12)13(21)10-5-17-11-3-2-8(16)4-9(10)11/h2-6,17H,1H3.
What are the key properties of (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone?
(5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone has a molecular weight of 328.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-thiazol-2-yl]methanone is sourced from PubChem (CID 148733606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).