N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine

C18H20N4O — CID 131904242

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
SMILESCCc1noc(CN(C)Cc2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C18H20N4O/c1-3-17-20-18(23-21-17)13-22(2)12-14-6-8-15(9-7-14)16-5-4-10-19-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyNDAGMRIRJOQPCT-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.33
Rot. Bonds6

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine (PubChem CID 131904242) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
PubChem CID131904242
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine
SMILESCCc1noc(CN(C)Cc2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C18H20N4O/c1-3-17-20-18(23-21-17)13-22(2)12-14-6-8-15(9-7-14)16-5-4-10-19-11-16/h4-11H,3,12-13H2,1-2H3
InChIKeyNDAGMRIRJOQPCT-UHFFFAOYSA-N
XLogP3.33
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine (CID 131904242) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine is CCc1noc(CN(C)Cc2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
The InChIKey is NDAGMRIRJOQPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-17-20-18(23-21-17)13-22(2)12-14-6-8-15(9-7-14)16-5-4-10-19-11-16/h4-11H,3,12-13H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine has a molecular weight of 308.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(4-pyridin-3-ylphenyl)methanamine is sourced from PubChem (CID 131904242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).