3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline

C18H17N5O — CID 89259202

IUPAC3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCC(C)c1nnc(-c2ccn3c(-c4cccc(N)c4)cnc3c2)o1
InChIInChI=1S/C18H17N5O/c1-11(2)17-21-22-18(24-17)13-6-7-23-15(10-20-16(23)9-13)12-4-3-5-14(19)8-12/h3-11H,19H2,1-2H3
InChIKeyGOVPZIIYWHEWTF-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.76
Rot. Bonds3

About 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline

3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline (PubChem CID 89259202) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline.

Molecular Properties

Compound Name3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline
PubChem CID89259202
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline
SMILESCC(C)c1nnc(-c2ccn3c(-c4cccc(N)c4)cnc3c2)o1
InChIInChI=1S/C18H17N5O/c1-11(2)17-21-22-18(24-17)13-6-7-23-15(10-20-16(23)9-13)12-4-3-5-14(19)8-12/h3-11H,19H2,1-2H3
InChIKeyGOVPZIIYWHEWTF-UHFFFAOYSA-N
XLogP3.76
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The IUPAC name of 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline (CID 89259202) is 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline.
What is the SMILES notation for 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The canonical SMILES for 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline is CC(C)c1nnc(-c2ccn3c(-c4cccc(N)c4)cnc3c2)o1.
What is the InChIKey of 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
The InChIKey is GOVPZIIYWHEWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-11(2)17-21-22-18(24-17)13-6-7-23-15(10-20-16(23)9-13)12-4-3-5-14(19)8-12/h3-11H,19H2,1-2H3.
What are the key properties of 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline?
3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline has a molecular weight of 319.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)imidazo[1,2-a]pyridin-3-yl]aniline is sourced from PubChem (CID 89259202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).