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

C16H22FN3O — CID 63352199

IUPACN-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C16H22FN3O/c1-5-13(11(4)18-6-2)16-19-15(20-21-16)14-9-12(17)8-7-10(14)3/h7-9,11,13,18H,5-6H2,1-4H3
InChIKeyKIVVRUNVSCDYMN-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.68
Rot. Bonds6

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

N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 63352199) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID63352199
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCNC(C)C(CC)c1nc(-c2cc(F)ccc2C)no1
InChIInChI=1S/C16H22FN3O/c1-5-13(11(4)18-6-2)16-19-15(20-21-16)14-9-12(17)8-7-10(14)3/h7-9,11,13,18H,5-6H2,1-4H3
InChIKeyKIVVRUNVSCDYMN-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63352155
N-ethyl-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347939
(1R)-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94420580
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 55221114
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 62387398
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63352289
N-ethyl-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352372
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 79713030
N-methyl-3-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 114878940
6-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 65286212
3-(5-fluoro-2-methylphenyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 55096436

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 63352199) is N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCNC(C)C(CC)c1nc(-c2cc(F)ccc2C)no1.
What is the InChIKey of N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is KIVVRUNVSCDYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-5-13(11(4)18-6-2)16-19-15(20-21-16)14-9-12(17)8-7-10(14)3/h7-9,11,13,18H,5-6H2,1-4H3.
What are the key properties of N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 63352199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).