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

C16H21FN4O — CID 124624885

IUPAC5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H21FN4O/c1-20(2)16-18-15(22-19-16)11-21-8-7-13(10-21)9-12-3-5-14(17)6-4-12/h3-6,13H,7-11H2,1-2H3/t13-/m0/s1
InChIKeyOVTYTTSBVUGUAM-ZDUSSCGKSA-N
MW304.37 g/mol
LogP2.34
Rot. Bonds5

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

5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 124624885) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID124624885
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H21FN4O/c1-20(2)16-18-15(22-19-16)11-21-8-7-13(10-21)9-12-3-5-14(17)6-4-12/h3-6,13H,7-11H2,1-2H3/t13-/m0/s1
InChIKeyOVTYTTSBVUGUAM-ZDUSSCGKSA-N
XLogP2.34
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 42557787
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263934
2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 154807730
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 42095742
5-[[4-(2-fluoro-3-methoxyphenyl)piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 100703946
5-[[(3S)-3-[(3-fluoro-2-pyridinyl)oxy]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124874749
N,N-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazol-3-amine
CID 124625051
5-[[(4aR,8aS)-1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 124624996
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908266
(4-benzylpiperidin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151794
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
3-ethyl-5-[[4-[(3-fluorophenyl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 60502187

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 124624885) is 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CN2CC[C@@H](Cc3ccc(F)cc3)C2)n1.
What is the InChIKey of 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is OVTYTTSBVUGUAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-20(2)16-18-15(22-19-16)11-21-8-7-13(10-21)9-12-3-5-14(17)6-4-12/h3-6,13H,7-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 304.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 124624885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).