(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide

C16H20N4O2 — CID 125137031

IUPAC(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ncon1)C(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-19(11-15-17-12-22-18-15)16(21)14-8-5-9-20(14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyASEWBGIOYQQXDW-CQSZACIVSA-N
MW300.36 g/mol
LogP1.69
Rot. Bonds5

About (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide

(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 125137031) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID125137031
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ncon1)C(=O)[C@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-19(11-15-17-12-22-18-15)16(21)14-8-5-9-20(14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyASEWBGIOYQQXDW-CQSZACIVSA-N
XLogP1.69
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpyrrolidine-2-carboxamide
CID 124739700
(2S)-1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 94665811
1-benzyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 86855477
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118781643
2-[(1-benzylpyrrolidine-2-carbonyl)-methylamino]propanoic acid
CID 119358457
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
1-(1-benzylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 70799307
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
1-benzyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-2-carboxamide
CID 91830712

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide (CID 125137031) is (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide is CN(Cc1ncon1)C(=O)[C@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is ASEWBGIOYQQXDW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19(11-15-17-12-22-18-15)16(21)14-8-5-9-20(14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide?
(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 125137031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).