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

C16H22FN3O — CID 63348126

IUPAC1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(-c2ccc(F)cc2)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-4-9-18-14(11(2)3)10-15-19-16(20-21-15)12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyIIFBYBZEEGVNLJ-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.44
Rot. Bonds7

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

1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine (PubChem CID 63348126) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
PubChem CID63348126
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(Cc1nc(-c2ccc(F)cc2)no1)C(C)C
InChIInChI=1S/C16H22FN3O/c1-4-9-18-14(11(2)3)10-15-19-16(20-21-15)12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3
InChIKeyIIFBYBZEEGVNLJ-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066
N-ethyl-3-methyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 55203186
1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 106850007
N-ethyl-1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63352289
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 63347983
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63348355
3-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347670
N,3-dimethyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347349
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
CID 63347982
N-ethyl-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63347693
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine
CID 116781067
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine (CID 63348126) is 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine is CCCNC(Cc1nc(-c2ccc(F)cc2)no1)C(C)C.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
The InChIKey is IIFBYBZEEGVNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-9-18-14(11(2)3)10-15-19-16(20-21-15)12-5-7-13(17)8-6-12/h5-8,11,14,18H,4,9-10H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine?
1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 63348126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).