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

C16H21FN4O — CID 119921647

IUPACN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1nc(-c2ccc(F)cc2)no1)C1CCNC1
InChIInChI=1S/C16H21FN4O/c1-2-9-21(14-7-8-18-10-14)11-15-19-16(20-22-15)12-3-5-13(17)6-4-12/h3-6,14,18H,2,7-11H2,1H3
InChIKeySDXVLKIORFCVHN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.45
Rot. Bonds6

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

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine (PubChem CID 119921647) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine
PubChem CID119921647
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine
SMILESCCCN(Cc1nc(-c2ccc(F)cc2)no1)C1CCNC1
InChIInChI=1S/C16H21FN4O/c1-2-9-21(14-7-8-18-10-14)11-15-19-16(20-22-15)12-3-5-13(17)6-4-12/h3-6,14,18H,2,7-11H2,1H3
InChIKeySDXVLKIORFCVHN-UHFFFAOYSA-N
XLogP2.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine (CID 119921647) is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine is CCCN(Cc1nc(-c2ccc(F)cc2)no1)C1CCNC1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine?
The InChIKey is SDXVLKIORFCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-2-9-21(14-7-8-18-10-14)11-15-19-16(20-22-15)12-3-5-13(17)6-4-12/h3-6,14,18H,2,7-11H2,1H3.
What are the key properties of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine?
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine has a molecular weight of 304.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpyrrolidin-3-amine is sourced from PubChem (CID 119921647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).