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

C12H14FN3O3 — CID 117421223

IUPAC[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCc1cc(OC)c(F)cc1-c1noc(CN)n1
InChIInChI=1S/C12H14FN3O3/c1-17-6-7-3-10(18-2)9(13)4-8(7)12-15-11(5-14)19-16-12/h3-4H,5-6,14H2,1-2H3
InChIKeyGLRBMELOACEKKL-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.49
Rot. Bonds5

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

[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117421223) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117421223
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOCc1cc(OC)c(F)cc1-c1noc(CN)n1
InChIInChI=1S/C12H14FN3O3/c1-17-6-7-3-10(18-2)9(13)4-8(7)12-15-11(5-14)19-16-12/h3-4H,5-6,14H2,1-2H3
InChIKeyGLRBMELOACEKKL-UHFFFAOYSA-N
XLogP1.49
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
[3-(2,4-difluoro-3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430536
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
[3-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430541
[3-[3,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117447663
[3-(4-ethyl-2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412438
[3-(2,5-dimethoxy-4-propylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117444257
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 117385228
[3-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117444259
[3-(3-chloro-2-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117397358
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-fluoro-6-methoxyphenol
CID 117350049
[3-(3,4-difluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354407

Frequently Asked Questions

What is the IUPAC name of [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 117421223) is [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is COCc1cc(OC)c(F)cc1-c1noc(CN)n1.
What is the InChIKey of [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is GLRBMELOACEKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-17-6-7-3-10(18-2)9(13)4-8(7)12-15-11(5-14)19-16-12/h3-4H,5-6,14H2,1-2H3.
What are the key properties of [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 267.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-fluoro-4-methoxy-2-(methoxymethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117421223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).