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

C16H14N4O — CID 15750391

IUPACN-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(-c3nc4ccccn4c3C)ccc2o1
InChIInChI=1S/C16H14N4O/c1-10-15(19-14-5-3-4-8-20(10)14)11-6-7-13-12(9-11)18-16(17-2)21-13/h3-9H,1-2H3,(H,17,18)
InChIKeyASOLEURCUGBKLA-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.49
Rot. Bonds2

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

N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 15750391) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID15750391
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(-c3nc4ccccn4c3C)ccc2o1
InChIInChI=1S/C16H14N4O/c1-10-15(19-14-5-3-4-8-20(10)14)11-6-7-13-12(9-11)18-16(17-2)21-13/h3-9H,1-2H3,(H,17,18)
InChIKeyASOLEURCUGBKLA-UHFFFAOYSA-N
XLogP3.49
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (CID 15750391) is N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is CNc1nc2cc(-c3nc4ccccn4c3C)ccc2o1.
What is the InChIKey of N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is ASOLEURCUGBKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-15(19-14-5-3-4-8-20(10)14)11-6-7-13-12(9-11)18-16(17-2)21-13/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 278.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 15750391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).