N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine

C17H23FN4O — CID 72909336

IUPACN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCC(c2ccc(F)cc2)N2CCCC2)o1
InChIInChI=1S/C17H23FN4O/c1-2-5-16-20-21-17(23-16)19-12-15(22-10-3-4-11-22)13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyFAIGGUIJQTWLRE-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.41
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine

N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 72909336) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID72909336
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC NameN-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCC(c2ccc(F)cc2)N2CCCC2)o1
InChIInChI=1S/C17H23FN4O/c1-2-5-16-20-21-17(23-16)19-12-15(22-10-3-4-11-22)13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,21)
InChIKeyFAIGGUIJQTWLRE-UHFFFAOYSA-N
XLogP3.41
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 72909336) is N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCC(c2ccc(F)cc2)N2CCCC2)o1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is FAIGGUIJQTWLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-2-5-16-20-21-17(23-16)19-12-15(22-10-3-4-11-22)13-6-8-14(18)9-7-13/h6-9,15H,2-5,10-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine has a molecular weight of 318.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 72909336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).