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

C16H22FN3O — CID 63562028

IUPACN-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C16H22FN3O/c1-4-14(18-5-2)11(3)16-19-15(20-21-16)10-12-8-6-7-9-13(12)17/h6-9,11,14,18H,4-5,10H2,1-3H3
InChIKeyUGGJSQMOFLUANU-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.29
Rot. Bonds7

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

N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (PubChem CID 63562028) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
PubChem CID63562028
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
SMILESCCNC(CC)C(C)c1nc(Cc2ccccc2F)no1
InChIInChI=1S/C16H22FN3O/c1-4-14(18-5-2)11(3)16-19-15(20-21-16)10-12-8-6-7-9-13(12)17/h6-9,11,14,18H,4-5,10H2,1-3H3
InChIKeyUGGJSQMOFLUANU-UHFFFAOYSA-N
XLogP3.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559540
2-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 55221452
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347609
2-[3-(cyclobutylmethyl)-1,2,4-oxadiazol-5-yl]-N-ethylpentan-3-amine
CID 112754325
(1S)-3-amino-1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 114006948
N-ethyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65137621
1-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
CID 62478080
N-methyl-2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63559720
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
1-[3-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 63350444
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63347742

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The IUPAC name of N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine (CID 63562028) is N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine.
What is the SMILES notation for N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The canonical SMILES for N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is CCNC(CC)C(C)c1nc(Cc2ccccc2F)no1.
What is the InChIKey of N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
The InChIKey is UGGJSQMOFLUANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-14(18-5-2)11(3)16-19-15(20-21-16)10-12-8-6-7-9-13(12)17/h6-9,11,14,18H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine?
N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine has a molecular weight of 291.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine is sourced from PubChem (CID 63562028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).