4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

C18H16BrN5O — CID 164620449

IUPAC4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCc1cc(Br)c2nc(-c3nnc(-c4ccc(N(C)C)cc4)o3)cn2c1
InChIInChI=1S/C18H16BrN5O/c1-11-8-14(19)16-20-15(10-24(16)9-11)18-22-21-17(25-18)12-4-6-13(7-5-12)23(2)3/h4-10H,1-3H3
InChIKeyWHSVURKHAMZVFB-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.19
Rot. Bonds3

About 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 164620449) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
PubChem CID164620449
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
SMILESCc1cc(Br)c2nc(-c3nnc(-c4ccc(N(C)C)cc4)o3)cn2c1
InChIInChI=1S/C18H16BrN5O/c1-11-8-14(19)16-20-15(10-24(16)9-11)18-22-21-17(25-18)12-4-6-13(7-5-12)23(2)3/h4-10H,1-3H3
InChIKeyWHSVURKHAMZVFB-UHFFFAOYSA-N
XLogP4.19
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (CID 164620449) is 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is Cc1cc(Br)c2nc(-c3nnc(-c4ccc(N(C)C)cc4)o3)cn2c1.
What is the InChIKey of 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
The InChIKey is WHSVURKHAMZVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-11-8-14(19)16-20-15(10-24(16)9-11)18-22-21-17(25-18)12-4-6-13(7-5-12)23(2)3/h4-10H,1-3H3.
What are the key properties of 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline?
4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 398.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 164620449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).