N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide

C16H19FN4O2 — CID 119817198

IUPACN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(NC(=O)CC1CCCN1)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H19FN4O2/c1-10(19-14(22)9-13-6-3-7-18-13)16-20-15(21-23-16)11-4-2-5-12(17)8-11/h2,4-5,8,10,13,18H,3,6-7,9H2,1H3,(H,19,22)
InChIKeyQKWOSKLZHFUJBC-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.19
Rot. Bonds5

About N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide

N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119817198) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119817198
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(NC(=O)CC1CCCN1)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H19FN4O2/c1-10(19-14(22)9-13-6-3-7-18-13)16-20-15(21-23-16)11-4-2-5-12(17)8-11/h2,4-5,8,10,13,18H,3,6-7,9H2,1H3,(H,19,22)
InChIKeyQKWOSKLZHFUJBC-UHFFFAOYSA-N
XLogP2.19
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide (CID 119817198) is N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide is CC(NC(=O)CC1CCCN1)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is QKWOSKLZHFUJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-10(19-14(22)9-13-6-3-7-18-13)16-20-15(21-23-16)11-4-2-5-12(17)8-11/h2,4-5,8,10,13,18H,3,6-7,9H2,1H3,(H,19,22).
What are the key properties of N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide?
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 318.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119817198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).