N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine

C19H28N4O2 — CID 47053405

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1ccc(N2CCOCC2)cc1)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)18-20-17(21-25-18)14-22(4)13-15-5-7-16(8-6-15)23-9-11-24-12-10-23/h5-8H,9-14H2,1-4H3
InChIKeyLPDBTVIJUVPMSX-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.84
Rot. Bonds5

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine (PubChem CID 47053405) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine
PubChem CID47053405
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1ccc(N2CCOCC2)cc1)Cc1noc(C(C)(C)C)n1
InChIInChI=1S/C19H28N4O2/c1-19(2,3)18-20-17(21-25-18)14-22(4)13-15-5-7-16(8-6-15)23-9-11-24-12-10-23/h5-8H,9-14H2,1-4H3
InChIKeyLPDBTVIJUVPMSX-UHFFFAOYSA-N
XLogP2.84
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine (CID 47053405) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine is CN(Cc1ccc(N2CCOCC2)cc1)Cc1noc(C(C)(C)C)n1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine?
The InChIKey is LPDBTVIJUVPMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,3)18-20-17(21-25-18)14-22(4)13-15-5-7-16(8-6-15)23-9-11-24-12-10-23/h5-8H,9-14H2,1-4H3.
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine has a molecular weight of 344.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(4-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 47053405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).