5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

C18H17N5O — CID 77106364

IUPAC5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESCC(C)c1nnc(-c2cc(-c3ccc4[nH]ccc4c3)cnc2N)o1
InChIInChI=1S/C18H17N5O/c1-10(2)17-22-23-18(24-17)14-8-13(9-21-16(14)19)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H3,(H2,19,21)
InChIKeyYNLOBEMSGACSSS-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.99
Rot. Bonds3

About 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (PubChem CID 77106364) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
PubChem CID77106364
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESCC(C)c1nnc(-c2cc(-c3ccc4[nH]ccc4c3)cnc2N)o1
InChIInChI=1S/C18H17N5O/c1-10(2)17-22-23-18(24-17)14-8-13(9-21-16(14)19)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H3,(H2,19,21)
InChIKeyYNLOBEMSGACSSS-UHFFFAOYSA-N
XLogP3.99
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (CID 77106364) is 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is CC(C)c1nnc(-c2cc(-c3ccc4[nH]ccc4c3)cnc2N)o1.
What is the InChIKey of 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The InChIKey is YNLOBEMSGACSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-10(2)17-22-23-18(24-17)14-8-13(9-21-16(14)19)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H3,(H2,19,21).
What are the key properties of 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine has a molecular weight of 319.37 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-5-yl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 77106364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).