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

C17H20N4O — CID 139602308

IUPACN-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCCNc1nc2ccc(-c3cn4c(n3)CC(C)CC4)cc2o1
InChIInChI=1S/C17H20N4O/c1-3-18-17-20-13-5-4-12(9-15(13)22-17)14-10-21-7-6-11(2)8-16(21)19-14/h4-5,9-11H,3,6-8H2,1-2H3,(H,18,20)
InChIKeyZOGNIGMQOLOCFS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.71
Rot. Bonds3

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

N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (PubChem CID 139602308) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
PubChem CID139602308
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine
SMILESCCNc1nc2ccc(-c3cn4c(n3)CC(C)CC4)cc2o1
InChIInChI=1S/C17H20N4O/c1-3-18-17-20-13-5-4-12(9-15(13)22-17)14-10-21-7-6-11(2)8-16(21)19-14/h4-5,9-11H,3,6-8H2,1-2H3,(H,18,20)
InChIKeyZOGNIGMQOLOCFS-UHFFFAOYSA-N
XLogP3.71
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The IUPAC name of N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine (CID 139602308) is N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The canonical SMILES for N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is CCNc1nc2ccc(-c3cn4c(n3)CC(C)CC4)cc2o1.
What is the InChIKey of N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
The InChIKey is ZOGNIGMQOLOCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-18-17-20-13-5-4-12(9-15(13)22-17)14-10-21-7-6-11(2)8-16(21)19-14/h4-5,9-11H,3,6-8H2,1-2H3,(H,18,20).
What are the key properties of N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine?
N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine has a molecular weight of 296.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 139602308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).