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

C16H23N3O2 — CID 61497109

IUPACN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCc2noc(CC)n2)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-5-15-18-14(19-21-15)10-20-16-11(3)7-13(8-12(16)4)9-17-6-2/h7-8,17H,5-6,9-10H2,1-4H3
InChIKeyZAFVTXCSRGBWQO-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.94
Rot. Bonds7

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

N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine (PubChem CID 61497109) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
PubChem CID61497109
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
SMILESCCNCc1cc(C)c(OCc2noc(CC)n2)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-5-15-18-14(19-21-15)10-20-16-11(3)7-13(8-12(16)4)9-17-6-2/h7-8,17H,5-6,9-10H2,1-4H3
InChIKeyZAFVTXCSRGBWQO-UHFFFAOYSA-N
XLogP2.94
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine (CID 61497109) is N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine is CCNCc1cc(C)c(OCc2noc(CC)n2)c(C)c1.
What is the InChIKey of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine?
The InChIKey is ZAFVTXCSRGBWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-15-18-14(19-21-15)10-20-16-11(3)7-13(8-12(16)4)9-17-6-2/h7-8,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine?
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine is sourced from PubChem (CID 61497109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).