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

C16H19FN4O2 — CID 71846093

IUPACN-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1nnc(C2CCCN2CCC(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C16H19FN4O2/c1-11-19-20-16(23-11)14-6-3-8-21(14)9-7-15(22)18-13-5-2-4-12(17)10-13/h2,4-5,10,14H,3,6-9H2,1H3,(H,18,22)
InChIKeyDYICSVUOJDAMFE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.68
Rot. Bonds5

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

N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 71846093) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID71846093
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1nnc(C2CCCN2CCC(=O)Nc2cccc(F)c2)o1
InChIInChI=1S/C16H19FN4O2/c1-11-19-20-16(23-11)14-6-3-8-21(14)9-7-15(22)18-13-5-2-4-12(17)10-13/h2,4-5,10,14H,3,6-9H2,1H3,(H,18,22)
InChIKeyDYICSVUOJDAMFE-UHFFFAOYSA-N
XLogP2.68
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide
CID 124752690
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N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
N-(3-fluorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]propanamide
CID 63248996
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
3-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)propanamide
CID 31990337
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 86952115
N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953269
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155222

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide (CID 71846093) is N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide is Cc1nnc(C2CCCN2CCC(=O)Nc2cccc(F)c2)o1.
What is the InChIKey of N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is DYICSVUOJDAMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-11-19-20-16(23-11)14-6-3-8-21(14)9-7-15(22)18-13-5-2-4-12(17)10-13/h2,4-5,10,14H,3,6-9H2,1H3,(H,18,22).
What are the key properties of N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide?
N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 318.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 71846093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).