2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid

C15H19N3O4 — CID 46992181

IUPAC2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid
SMILESCCN(Cc1nc(COC)no1)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H19N3O4/c1-3-18(9-14-16-13(10-21-2)17-22-14)8-11-6-4-5-7-12(11)15(19)20/h4-7H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyMKZYQLRVTUXKOQ-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.94
Rot. Bonds8

About 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid

2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid (PubChem CID 46992181) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid
PubChem CID46992181
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid
SMILESCCN(Cc1nc(COC)no1)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H19N3O4/c1-3-18(9-14-16-13(10-21-2)17-22-14)8-11-6-4-5-7-12(11)15(19)20/h4-7H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyMKZYQLRVTUXKOQ-UHFFFAOYSA-N
XLogP1.94
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid with MolForge

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Related Compounds

N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide
CID 46989332
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 50984057
N-[(4-chloro-1-methylindazol-3-yl)methyl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 77082040
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
N-benzyl-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 26326386
methoxymethylbenzene;2-(methoxymethyl)benzoic acid
CID 175486457
N-ethyl-N-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 42509166
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 46997067
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91787669
2-[[ethyl(methyl)amino]methyl]benzoic acid
CID 43473290

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid?
The IUPAC name of 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid (CID 46992181) is 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid.
What is the SMILES notation for 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid?
The canonical SMILES for 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid is CCN(Cc1nc(COC)no1)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid?
The InChIKey is MKZYQLRVTUXKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-3-18(9-14-16-13(10-21-2)17-22-14)8-11-6-4-5-7-12(11)15(19)20/h4-7H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid?
2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]benzoic acid is sourced from PubChem (CID 46992181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).