N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine

C16H22FN3O — CID 63352289

IUPACN-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
SMILESCCNC(Cc1nc(-c2cc(F)ccc2C)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-5-18-14(10(2)3)9-15-19-16(20-21-15)13-8-12(17)7-6-11(13)4/h6-8,10,14,18H,5,9H2,1-4H3
InChIKeyHOEQNVJNVLZPNU-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.36
Rot. Bonds6

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

N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine (PubChem CID 63352289) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
PubChem CID63352289
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
SMILESCCNC(Cc1nc(-c2cc(F)ccc2C)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-5-18-14(10(2)3)9-15-19-16(20-21-15)13-8-12(17)7-6-11(13)4/h6-8,10,14,18H,5,9H2,1-4H3
InChIKeyHOEQNVJNVLZPNU-UHFFFAOYSA-N
XLogP3.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352372
N-[[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 63065066
1-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethylbutan-2-amine
CID 107924519
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 63348126
N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352199
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63347693
N-ethyl-3-methyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 115531504
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 81273058
3-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 55096436
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 81282056
3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63352155

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The IUPAC name of N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine (CID 63352289) is N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The canonical SMILES for N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine is CCNC(Cc1nc(-c2cc(F)ccc2C)no1)C(C)C.
What is the InChIKey of N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
The InChIKey is HOEQNVJNVLZPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-5-18-14(10(2)3)9-15-19-16(20-21-15)13-8-12(17)7-6-11(13)4/h6-8,10,14,18H,5,9H2,1-4H3.
What are the key properties of N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine?
N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine is sourced from PubChem (CID 63352289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).