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

C16H22FN3O — CID 63560867

IUPAC2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H22FN3O/c1-4-9-18-14(5-2)11(3)16-19-15(20-21-16)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,4-5,9H2,1-3H3
InChIKeyHZVQURURIDDGAW-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.76
Rot. Bonds7

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

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (PubChem CID 63560867) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
PubChem CID63560867
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H22FN3O/c1-4-9-18-14(5-2)11(3)16-19-15(20-21-16)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,4-5,9H2,1-3H3
InChIKeyHZVQURURIDDGAW-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560287
2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63554406
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348355
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
N-ethyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 63560095
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347489
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxy-N-propylpropan-2-amine
CID 63348511
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 60835917
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
N-ethyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55200693

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (CID 63560867) is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is CCCNC(CC)C(C)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The InChIKey is HZVQURURIDDGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-9-18-14(5-2)11(3)16-19-15(20-21-16)12-7-6-8-13(17)10-12/h6-8,10-11,14,18H,4-5,9H2,1-3H3.
What are the key properties of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine has a molecular weight of 291.37 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is sourced from PubChem (CID 63560867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).