N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C15H19ClFN3O3 — CID 46986114

IUPACN-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1cc(F)c(OC)c(Cl)c1)Cc1nc(COC)no1
InChIInChI=1S/C15H19ClFN3O3/c1-4-20(8-14-18-13(9-21-2)19-23-14)7-10-5-11(16)15(22-3)12(17)6-10/h5-6H,4,7-9H2,1-3H3
InChIKeyLOHQNHXSBSJZCV-UHFFFAOYSA-N
MW343.79 g/mol
LogP3.04
Rot. Bonds8

About N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 46986114) has the molecular formula C15H19ClFN3O3 and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID46986114
Molecular FormulaC15H19ClFN3O3
Molecular Weight343.79 g/mol
Exact Mass343.11
IUPAC NameN-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1cc(F)c(OC)c(Cl)c1)Cc1nc(COC)no1
InChIInChI=1S/C15H19ClFN3O3/c1-4-20(8-14-18-13(9-21-2)19-23-14)7-10-5-11(16)15(22-3)12(17)6-10/h5-6H,4,7-9H2,1-3H3
InChIKeyLOHQNHXSBSJZCV-UHFFFAOYSA-N
XLogP3.04
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 46986114) is N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCN(Cc1cc(F)c(OC)c(Cl)c1)Cc1nc(COC)no1.
What is the InChIKey of N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is LOHQNHXSBSJZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN3O3/c1-4-20(8-14-18-13(9-21-2)19-23-14)7-10-5-11(16)15(22-3)12(17)6-10/h5-6H,4,7-9H2,1-3H3.
What are the key properties of N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 343.79 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 46986114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).