N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide

C10H14F2N4O2 — CID 155956034

IUPACN-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESCC(F)(F)c1noc(CNC(=O)N2CCCC2)n1
InChIInChI=1S/C10H14F2N4O2/c1-10(11,12)8-14-7(18-15-8)6-13-9(17)16-4-2-3-5-16/h2-6H2,1H3,(H,13,17)
InChIKeyPAUQGTLFXRUECC-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.49
Rot. Bonds3

About N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide

N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 155956034) has the molecular formula C10H14F2N4O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID155956034
Molecular FormulaC10H14F2N4O2
Molecular Weight260.24 g/mol
Exact Mass260.11
IUPAC NameN-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
SMILESCC(F)(F)c1noc(CNC(=O)N2CCCC2)n1
InChIInChI=1S/C10H14F2N4O2/c1-10(11,12)8-14-7(18-15-8)6-13-9(17)16-4-2-3-5-16/h2-6H2,1H3,(H,13,17)
InChIKeyPAUQGTLFXRUECC-UHFFFAOYSA-N
XLogP1.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxyazetidine-1-carboxamide
CID 122566180
N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]oxolane-3-carboxamide
CID 167852428
N-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide
CID 155950245
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
N-[(5-methyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370608
N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
(2R)-N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 125447226
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]azepane-1-carboxamide
CID 106370575
(2S)-1-(azepan-1-yl)-2-[(S)-(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfinyl]propan-1-one
CID 97211016
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide (CID 155956034) is N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide is CC(F)(F)c1noc(CNC(=O)N2CCCC2)n1.
What is the InChIKey of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is PAUQGTLFXRUECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N4O2/c1-10(11,12)8-14-7(18-15-8)6-13-9(17)16-4-2-3-5-16/h2-6H2,1H3,(H,13,17).
What are the key properties of N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide?
N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 260.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,1-difluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 155956034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).