5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine

C16H10ClFN4O — CID 167847037

IUPAC5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESFc1c(Cl)ccc2cc(-c3nc(Nc4ccccc4)no3)[nH]c12
InChIInChI=1S/C16H10ClFN4O/c17-11-7-6-9-8-12(20-14(9)13(11)18)15-21-16(22-23-15)19-10-4-2-1-3-5-10/h1-8,20H,(H,19,22)
InChIKeyIFKZLHLCTHFULJ-UHFFFAOYSA-N
MW328.73 g/mol
LogP4.75
Rot. Bonds3

About 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine

5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 167847037) has the molecular formula C16H10ClFN4O and a molecular weight of 328.73 g/mol. Its IUPAC name is 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID167847037
Molecular FormulaC16H10ClFN4O
Molecular Weight328.73 g/mol
Exact Mass328.05
IUPAC Name5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine
SMILESFc1c(Cl)ccc2cc(-c3nc(Nc4ccccc4)no3)[nH]c12
InChIInChI=1S/C16H10ClFN4O/c17-11-7-6-9-8-12(20-14(9)13(11)18)15-21-16(22-23-15)19-10-4-2-1-3-5-10/h1-8,20H,(H,19,22)
InChIKeyIFKZLHLCTHFULJ-UHFFFAOYSA-N
XLogP4.75
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine (CID 167847037) is 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine is Fc1c(Cl)ccc2cc(-c3nc(Nc4ccccc4)no3)[nH]c12.
What is the InChIKey of 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is IFKZLHLCTHFULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O/c17-11-7-6-9-8-12(20-14(9)13(11)18)15-21-16(22-23-15)19-10-4-2-1-3-5-10/h1-8,20H,(H,19,22).
What are the key properties of 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine?
5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 328.73 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-7-fluoro-1H-indol-2-yl)-N-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 167847037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).