5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine

C17H16N4O — CID 15750395

IUPAC5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(-c3nc4cc(C)ccn4c3C)ccc2o1
InChIInChI=1S/C17H16N4O/c1-10-6-7-21-11(2)16(20-15(21)8-10)12-4-5-14-13(9-12)19-17(18-3)22-14/h4-9H,1-3H3,(H,18,19)
InChIKeyPYDPVVFVHKAGIU-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.80
Rot. Bonds2

About 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine

5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine (PubChem CID 15750395) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine
PubChem CID15750395
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(-c3nc4cc(C)ccn4c3C)ccc2o1
InChIInChI=1S/C17H16N4O/c1-10-6-7-21-11(2)16(20-15(21)8-10)12-4-5-14-13(9-12)19-17(18-3)22-14/h4-9H,1-3H3,(H,18,19)
InChIKeyPYDPVVFVHKAGIU-UHFFFAOYSA-N
XLogP3.80
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine (CID 15750395) is 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine is CNc1nc2cc(-c3nc4cc(C)ccn4c3C)ccc2o1.
What is the InChIKey of 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine?
The InChIKey is PYDPVVFVHKAGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-10-6-7-21-11(2)16(20-15(21)8-10)12-4-5-14-13(9-12)19-17(18-3)22-14/h4-9H,1-3H3,(H,18,19).
What are the key properties of 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine?
5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 15750395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).