N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine

C16H18N4O — CID 139602314

IUPACN-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(-c3nc4n(c3C)CCCC4)ccc2o1
InChIInChI=1S/C16H18N4O/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/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyURIQICDUASTQBF-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.38
Rot. Bonds2

About N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine

N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 139602314) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID139602314
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCNc1nc2cc(-c3nc4n(c3C)CCCC4)ccc2o1
InChIInChI=1S/C16H18N4O/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/h6-7,9H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyURIQICDUASTQBF-UHFFFAOYSA-N
XLogP3.38
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (CID 139602314) is N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is CNc1nc2cc(-c3nc4n(c3C)CCCC4)ccc2o1.
What is the InChIKey of N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is URIQICDUASTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/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/h6-7,9H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
N-methyl-5-(3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 282.35 g/mol, XLogP of 3.38, 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-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 139602314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).