N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine

C11H12FN3O — CID 62594653

IUPACN-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C11H12FN3O/c1-3-13-11-14-10(15-16-11)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyMTKCTLLQTKAMBZ-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.62
Rot. Bonds3

About N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine

N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 62594653) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID62594653
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC NameN-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)no1
InChIInChI=1S/C11H12FN3O/c1-3-13-11-14-10(15-16-11)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyMTKCTLLQTKAMBZ-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(4-fluorophenyl)-1,2,4-oxadiazol-5-amine
CID 62594100
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93350969
2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine;hydrochloride
CID 119948247
N-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60929102
5-(diethoxymethyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 63773042
3-(3,4-difluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 62594651
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 82616661
(1S)-1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263585
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
N-ethyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 55123829
N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63485270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine (CID 62594653) is N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine is CCNc1nc(-c2ccc(F)c(C)c2)no1.
What is the InChIKey of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MTKCTLLQTKAMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-3-13-11-14-10(15-16-11)8-4-5-9(12)7(2)6-8/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine?
N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 221.23 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 62594653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).