1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine

C14H18FN3O — CID 114832628

IUPAC1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(C)c1nc(C(C)(N)Cc2cccc(F)c2)no1
InChIInChI=1S/C14H18FN3O/c1-9(2)12-17-13(18-19-12)14(3,16)8-10-5-4-6-11(15)7-10/h4-7,9H,8,16H2,1-3H3
InChIKeyXVLDHYUWZPJEQV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine

1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine (PubChem CID 114832628) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
PubChem CID114832628
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
SMILESCC(C)c1nc(C(C)(N)Cc2cccc(F)c2)no1
InChIInChI=1S/C14H18FN3O/c1-9(2)12-17-13(18-19-12)14(3,16)8-10-5-4-6-11(15)7-10/h4-7,9H,8,16H2,1-3H3
InChIKeyXVLDHYUWZPJEQV-UHFFFAOYSA-N
XLogP2.75
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-fluorophenyl)butan-2-amine
CID 119133513
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(3-fluorophenyl)-2-quinolin-8-ylpropan-2-amine
CID 114833985
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 71088156
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637323
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
2-(2-bromophenyl)-1-(3-fluorophenyl)propan-2-amine
CID 60799082
3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
CID 105455070

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine (CID 114832628) is 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine is CC(C)c1nc(C(C)(N)Cc2cccc(F)c2)no1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
The InChIKey is XVLDHYUWZPJEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-9(2)12-17-13(18-19-12)14(3,16)8-10-5-4-6-11(15)7-10/h4-7,9H,8,16H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine?
1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine has a molecular weight of 263.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)propan-2-amine is sourced from PubChem (CID 114832628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).