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

C17H23FN4O — CID 97203299

IUPACN-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@@H](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)/t15-/m0/s1
InChIKeyFAIGGUIJQTWLRE-HNNXBMFYSA-N
MW318.40 g/mol
LogP3.41
Rot. Bonds7

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

N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine (PubChem CID 97203299) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
PubChem CID97203299
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC NameN-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NC[C@@H](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)/t15-/m0/s1
InChIKeyFAIGGUIJQTWLRE-HNNXBMFYSA-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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Related Compounds

N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 97206560
N-(2-morpholin-4-yl-2-pyridin-4-ylethyl)-5-propyl-1,3,4-oxadiazol-2-amine
CID 72841489
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 97209978
2-(4-fluorophenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 22692501
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(pyridin-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 137345383
N-[(2S)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577979
N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-methyl-3-propylpyrazole-5-carboxamide
CID 96577978
4-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-methylpyrimidine-2,4-diamine
CID 72913524
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-thiophen-2-ylpropanamide
CID 110304194
2-(4-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623873
5-N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-6-N-(2-methoxyethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 45190731
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine (CID 97203299) is N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine is CCCc1nnc(NC[C@@H](c2ccc(F)cc2)N2CCCC2)o1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
The InChIKey is FAIGGUIJQTWLRE-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine?
N-[(2R)-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-[(2R)-2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-5-propyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97203299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).