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

C10H10FN3O2 — CID 63188189

IUPAC2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOCc1noc(-c2ccc(N)c(F)c2)n1
InChIInChI=1S/C10H10FN3O2/c1-15-5-9-13-10(16-14-9)6-2-3-8(12)7(11)4-6/h2-4H,5,12H2,1H3
InChIKeyRLEFKBIDKQEIKA-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.60
Rot. Bonds3

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

2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 63188189) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID63188189
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOCc1noc(-c2ccc(N)c(F)c2)n1
InChIInChI=1S/C10H10FN3O2/c1-15-5-9-13-10(16-14-9)6-2-3-8(12)7(11)4-6/h2-4H,5,12H2,1H3
InChIKeyRLEFKBIDKQEIKA-UHFFFAOYSA-N
XLogP1.60
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
5-(4-chloro-3-fluorophenyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 84593426
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-fluoroaniline
CID 63188232
4-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 63187882
2-fluoro-4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79613731
3-(methoxymethyl)-5-phenyl-1,2,4-oxadiazole
CID 59009688
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 61412594
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-4-(trifluoromethyl)aniline
CID 66270093
2-fluoro-4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116702974
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336064
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 79078355

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline (CID 63188189) is 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline is COCc1noc(-c2ccc(N)c(F)c2)n1.
What is the InChIKey of 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is RLEFKBIDKQEIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-15-5-9-13-10(16-14-9)6-2-3-8(12)7(11)4-6/h2-4H,5,12H2,1H3.
What are the key properties of 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline?
2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 223.21 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 63188189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).