(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide

C10H16FN5O2 — CID 120963198

IUPAC(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCN(C)c1noc(CN2C[C@H](F)C[C@H]2C(N)=O)n1
InChIInChI=1S/C10H16FN5O2/c1-15(2)10-13-8(18-14-10)5-16-4-6(11)3-7(16)9(12)17/h6-7H,3-5H2,1-2H3,(H2,12,17)/t6-,7+/m1/s1
InChIKeyKWRVNOBYJXMASP-RQJHMYQMSA-N
MW257.27 g/mol
LogP-0.47
Rot. Bonds4

About (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide (PubChem CID 120963198) has the molecular formula C10H16FN5O2 and a molecular weight of 257.27 g/mol. Its IUPAC name is (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide
PubChem CID120963198
Molecular FormulaC10H16FN5O2
Molecular Weight257.27 g/mol
Exact Mass257.13
IUPAC Name(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide
SMILESCN(C)c1noc(CN2C[C@H](F)C[C@H]2C(N)=O)n1
InChIInChI=1S/C10H16FN5O2/c1-15(2)10-13-8(18-14-10)5-16-4-6(11)3-7(16)9(12)17/h6-7H,3-5H2,1-2H3,(H2,12,17)/t6-,7+/m1/s1
InChIKeyKWRVNOBYJXMASP-RQJHMYQMSA-N
XLogP-0.47
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120963302
tert-butyl (3S)-4-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]thiomorpholine-3-carboxylate
CID 124874813
(2S,4R)-4-fluoro-1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 131955290
(3S,5R)-5-(3,4-difluorophenyl)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-ol
CID 129345950
(2S,4R)-4-hydroxy-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 98754040
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
1-(2-chloroethyl)-4-fluoropyrrolidine-2-carboxamide
CID 90955627
(2S,4R)-4-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 120963288
1-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 121416136
(2S,4R)-1-[(5-bromo-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 138013376
5-[[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 128982747
[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 128986665

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide (CID 120963198) is (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide is CN(C)c1noc(CN2C[C@H](F)C[C@H]2C(N)=O)n1.
What is the InChIKey of (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is KWRVNOBYJXMASP-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H16FN5O2/c1-15(2)10-13-8(18-14-10)5-16-4-6(11)3-7(16)9(12)17/h6-7H,3-5H2,1-2H3,(H2,12,17)/t6-,7+/m1/s1.
What are the key properties of (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 257.27 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 120963198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).