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

C11H18N4O2 — CID 104859405

IUPAC2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2noc(C)n2)CCCN1
InChIInChI=1S/C11H18N4O2/c1-3-11(5-4-6-13-11)10(16)12-7-9-14-8(2)17-15-9/h13H,3-7H2,1-2H3,(H,12,16)
InChIKeyVHQZRQLCRVZDDY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.53
Rot. Bonds4

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

2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 104859405) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID104859405
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2noc(C)n2)CCCN1
InChIInChI=1S/C11H18N4O2/c1-3-11(5-4-6-13-11)10(16)12-7-9-14-8(2)17-15-9/h13H,3-7H2,1-2H3,(H,12,16)
InChIKeyVHQZRQLCRVZDDY-UHFFFAOYSA-N
XLogP0.53
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119326934
4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
CID 113266923
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83073298
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 83072450
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984
2-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072536
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-ethylpyrrolidine-2-carboxamide
CID 83079627
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114183213

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide (CID 104859405) is 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is CCC1(C(=O)NCc2noc(C)n2)CCCN1.
What is the InChIKey of 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VHQZRQLCRVZDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-3-11(5-4-6-13-11)10(16)12-7-9-14-8(2)17-15-9/h13H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide?
2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 104859405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).