5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline

C11H12FN3O3 — CID 168873817

IUPAC5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCOCc1nc(-c2cc(F)cc(N)c2OC)no1
InChIInChI=1S/C11H12FN3O3/c1-16-5-9-14-11(15-18-9)7-3-6(12)4-8(13)10(7)17-2/h3-4H,5,13H2,1-2H3
InChIKeyAZCFHLWISUHEJC-UHFFFAOYSA-N
MW253.23 g/mol
LogP1.61
Rot. Bonds4

About 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline

5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline (PubChem CID 168873817) has the molecular formula C11H12FN3O3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline
PubChem CID168873817
Molecular FormulaC11H12FN3O3
Molecular Weight253.23 g/mol
Exact Mass253.09
IUPAC Name5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline
SMILESCOCc1nc(-c2cc(F)cc(N)c2OC)no1
InChIInChI=1S/C11H12FN3O3/c1-16-5-9-14-11(15-18-9)7-3-6(12)4-8(13)10(7)17-2/h3-4H,5,13H2,1-2H3
InChIKeyAZCFHLWISUHEJC-UHFFFAOYSA-N
XLogP1.61
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(bromomethyl)-3-(3,4,5-trifluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 87077802
[3-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430541
[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117421223
[3-(2,4-difluoro-3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430536
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 136942270
[3-(3,4-difluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354407
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 117385228
2-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62536135
[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
[3-(4-methoxy-2,3,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82479882
3-(3-bromo-4-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
CID 2040223
3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157012483

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline?
The IUPAC name of 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline (CID 168873817) is 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline.
What is the SMILES notation for 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline?
The canonical SMILES for 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline is COCc1nc(-c2cc(F)cc(N)c2OC)no1.
What is the InChIKey of 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline?
The InChIKey is AZCFHLWISUHEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O3/c1-16-5-9-14-11(15-18-9)7-3-6(12)4-8(13)10(7)17-2/h3-4H,5,13H2,1-2H3.
What are the key properties of 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline?
5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline has a molecular weight of 253.23 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]aniline is sourced from PubChem (CID 168873817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).