1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine

C17H23N5O — CID 119138698

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
SMILESCc1cccn2c(CNC(C)c3nc(C(C)(C)C)no3)cnc12
InChIInChI=1S/C17H23N5O/c1-11-7-6-8-22-13(10-19-14(11)22)9-18-12(2)15-20-16(21-23-15)17(3,4)5/h6-8,10,12,18H,9H2,1-5H3
InChIKeyXAGMVBXEWIZVOP-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.17
Rot. Bonds4

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (PubChem CID 119138698) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
PubChem CID119138698
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
SMILESCc1cccn2c(CNC(C)c3nc(C(C)(C)C)no3)cnc12
InChIInChI=1S/C17H23N5O/c1-11-7-6-8-22-13(10-19-14(11)22)9-18-12(2)15-20-16(21-23-15)17(3,4)5/h6-8,10,12,18H,9H2,1-5H3
InChIKeyXAGMVBXEWIZVOP-UHFFFAOYSA-N
XLogP3.17
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine (CID 119138698) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine is Cc1cccn2c(CNC(C)c3nc(C(C)(C)C)no3)cnc12.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
The InChIKey is XAGMVBXEWIZVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-7-6-8-22-13(10-19-14(11)22)9-18-12(2)15-20-16(21-23-15)17(3,4)5/h6-8,10,12,18H,9H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine has a molecular weight of 313.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine is sourced from PubChem (CID 119138698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).