N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C15H18FN3O4 — CID 50973619

IUPACN-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCN(Cc1nc(COC)no1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O4/c1-3-19(8-14-17-13(9-21-2)18-23-14)15(20)10-22-12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyVBEGEIPLDYSYBP-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.78
Rot. Bonds8

About N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 50973619) has the molecular formula C15H18FN3O4 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID50973619
Molecular FormulaC15H18FN3O4
Molecular Weight323.32 g/mol
Exact Mass323.13
IUPAC NameN-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCCN(Cc1nc(COC)no1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C15H18FN3O4/c1-3-19(8-14-17-13(9-21-2)18-23-14)15(20)10-22-12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3
InChIKeyVBEGEIPLDYSYBP-UHFFFAOYSA-N
XLogP1.78
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91787669
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide
CID 46989332
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-(4-methylphenoxy)acetamide
CID 6494754
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 46997067
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 162626294
methyl 3-[ethyl-[2-(4-fluorophenoxy)acetyl]amino]propanoate
CID 61011300
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 50984057
[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl 2-ethoxybenzoate
CID 35481608
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 56508810
N-ethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 8874982

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 50973619) is N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is CCN(Cc1nc(COC)no1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is VBEGEIPLDYSYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4/c1-3-19(8-14-17-13(9-21-2)18-23-14)15(20)10-22-12-6-4-11(16)5-7-12/h4-7H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 323.32 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorophenoxy)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 50973619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).