(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide

C8H12N4O2 — CID 104874178

IUPAC(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1noc(NC(=O)[C@@H]2CCCN2)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-8(14-12-5)11-7(13)6-3-2-4-9-6/h6,9H,2-4H2,1H3,(H,10,11,12,13)/t6-/m0/s1
InChIKeyBRTOZGQHGNWTDO-LURJTMIESA-N
MW196.21 g/mol
LogP0.07
Rot. Bonds2

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

(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 104874178) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID104874178
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCc1noc(NC(=O)[C@@H]2CCCN2)n1
InChIInChI=1S/C8H12N4O2/c1-5-10-8(14-12-5)11-7(13)6-3-2-4-9-6/h6,9H,2-4H2,1H3,(H,10,11,12,13)/t6-/m0/s1
InChIKeyBRTOZGQHGNWTDO-LURJTMIESA-N
XLogP0.07
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119310286
N-[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrrolidine-2-carboxamide
CID 119344647
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidine-2-carboxamide
CID 43701124
(2R)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxamide
CID 104914813
(2R)-N-(4-bromo-3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 107574285
N-(5-methyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 18071476
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60710833
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
N-(1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 62902343
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide (CID 104874178) is (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide is Cc1noc(NC(=O)[C@@H]2CCCN2)n1.
What is the InChIKey of (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is BRTOZGQHGNWTDO-LURJTMIESA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-10-8(14-12-5)11-7(13)6-3-2-4-9-6/h6,9H,2-4H2,1H3,(H,10,11,12,13)/t6-/m0/s1.
What are the key properties of (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide?
(2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 104874178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).