1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

C11H12FN3O — CID 62387398

IUPAC1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccc(F)cc1-c1noc(C(C)N)n1
InChIInChI=1S/C11H12FN3O/c1-6-3-4-8(12)5-9(6)10-14-11(7(2)13)16-15-10/h3-5,7H,13H2,1-2H3
InChIKeyKMLWPDRULRCARO-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.20
Rot. Bonds2

About 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine

1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 62387398) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID62387398
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCc1ccc(F)cc1-c1noc(C(C)N)n1
InChIInChI=1S/C11H12FN3O/c1-6-3-4-8(12)5-9(6)10-14-11(7(2)13)16-15-10/h3-5,7H,13H2,1-2H3
InChIKeyKMLWPDRULRCARO-UHFFFAOYSA-N
XLogP2.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Fluorobenzyl)methyl[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amine
CID 23723829
2-Phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3474783
3-Phenyl-5-(propan-2-yl)-1,2,4-oxadiazole
CID 12710734
1-(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 4894507
N-isopropyl-2,2-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 1257973
3-Phenyl-5-(beta-diethylaminoethyl)-1,2,4-oxadiazole hydrochloride
CID 14637
(3-Phenyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride
CID 51051897
Isopropyl-(3-p-tolyl-[1,2,4]oxadiazol-5-ylmethyl)-amine
CID 957364
N,N-dimethyl-N'-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}propane-1,3-diamine
CID 662381
N-cyclohexyl-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3159557
N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 16760237
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 3157458

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 62387398) is 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is Cc1ccc(F)cc1-c1noc(C(C)N)n1.
What is the InChIKey of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is KMLWPDRULRCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-3-4-8(12)5-9(6)10-14-11(7(2)13)16-15-10/h3-5,7H,13H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 221.23 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 62387398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).