N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide

C9H12F2N4O2 — CID 128633425

IUPACN-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESCCc1noc(NC(=O)N2CCC(F)(F)C2)n1
InChIInChI=1S/C9H12F2N4O2/c1-2-6-12-7(17-14-6)13-8(16)15-4-3-9(10,11)5-15/h2-5H2,1H3,(H,12,13,14,16)
InChIKeyIUZNUBANDJZXRO-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.50
Rot. Bonds2

About N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide

N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 128633425) has the molecular formula C9H12F2N4O2 and a molecular weight of 246.22 g/mol. Its IUPAC name is N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID128633425
Molecular FormulaC9H12F2N4O2
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC NameN-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide
SMILESCCc1noc(NC(=O)N2CCC(F)(F)C2)n1
InChIInChI=1S/C9H12F2N4O2/c1-2-6-12-7(17-14-6)13-8(16)15-4-3-9(10,11)5-15/h2-5H2,1H3,(H,12,13,14,16)
InChIKeyIUZNUBANDJZXRO-UHFFFAOYSA-N
XLogP1.50
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-(4-ethylphenyl)morpholine-4-carboxamide
CID 129488275
N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methyl-2-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 136563312
3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
CID 164555762
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
3,3-difluoro-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 164555892
4-[(3,3-difluoropyrrolidine-1-carbonyl)amino]benzoic acid
CID 168655298
(6S)-N-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,8,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-8-carboxamide
CID 136585729
N-(3-methyl-1,2,4-oxadiazol-5-yl)-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
CID 167857522
4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 95623041
(5R)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 126436607
1-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122000522
tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 103916132

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide (CID 128633425) is N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide is CCc1noc(NC(=O)N2CCC(F)(F)C2)n1.
What is the InChIKey of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is IUZNUBANDJZXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4O2/c1-2-6-12-7(17-14-6)13-8(16)15-4-3-9(10,11)5-15/h2-5H2,1H3,(H,12,13,14,16).
What are the key properties of N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide?
N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 246.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1,2,4-oxadiazol-5-yl)-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 128633425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).