N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

C15H23N5O — CID 46990947

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2nnc(CC)o2)c(C)n1
InChIInChI=1S/C15H23N5O/c1-5-8-20-10-13(12(4)18-20)9-19(7-3)11-15-17-16-14(6-2)21-15/h5,10H,1,6-9,11H2,2-4H3
InChIKeyGFCAONNYSSHMRZ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.35
Rot. Bonds8

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46990947) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
PubChem CID46990947
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2nnc(CC)o2)c(C)n1
InChIInChI=1S/C15H23N5O/c1-5-8-20-10-13(12(4)18-20)9-19(7-3)11-15-17-16-14(6-2)21-15/h5,10H,1,6-9,11H2,2-4H3
InChIKeyGFCAONNYSSHMRZ-UHFFFAOYSA-N
XLogP2.35
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (CID 46990947) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is C=CCn1cc(CN(CC)Cc2nnc(CC)o2)c(C)n1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GFCAONNYSSHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-8-20-10-13(12(4)18-20)9-19(7-3)11-15-17-16-14(6-2)21-15/h5,10H,1,6-9,11H2,2-4H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46990947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).