1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine

C19H25N5O — CID 119139113

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine
SMILESCc1ncc(CNC(C)c2nc(C(C)(C)C)no2)n1-c1ccccc1
InChIInChI=1S/C19H25N5O/c1-13(17-22-18(23-25-17)19(3,4)5)20-11-16-12-21-14(2)24(16)15-9-7-6-8-10-15/h6-10,12-13,20H,11H2,1-5H3
InChIKeyUIDLULRYCPQDSJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.71
Rot. Bonds5

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine (PubChem CID 119139113) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine
PubChem CID119139113
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine
SMILESCc1ncc(CNC(C)c2nc(C(C)(C)C)no2)n1-c1ccccc1
InChIInChI=1S/C19H25N5O/c1-13(17-22-18(23-25-17)19(3,4)5)20-11-16-12-21-14(2)24(16)15-9-7-6-8-10-15/h6-10,12-13,20H,11H2,1-5H3
InChIKeyUIDLULRYCPQDSJ-UHFFFAOYSA-N
XLogP3.71
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.71
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-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine (CID 119139113) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine is Cc1ncc(CNC(C)c2nc(C(C)(C)C)no2)n1-c1ccccc1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine?
The InChIKey is UIDLULRYCPQDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(17-22-18(23-25-17)19(3,4)5)20-11-16-12-21-14(2)24(16)15-9-7-6-8-10-15/h6-10,12-13,20H,11H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine has a molecular weight of 339.44 g/mol, XLogP of 3.71, 5 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-[(2-methyl-3-phenylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 119139113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).