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

C17H20N4O4 — CID 95190660

IUPAC(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)no1
InChIInChI=1S/C17H20N4O4/c1-3-15-18-14(19-25-15)10-20(2)17(24)11-7-16(23)21(9-11)12-5-4-6-13(22)8-12/h4-6,8,11,22H,3,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyUTVCVZSKMZMCBM-LLVKDONJSA-N
MW344.37 g/mol
LogP1.35
Rot. Bonds5

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

(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95190660) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95190660
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)no1
InChIInChI=1S/C17H20N4O4/c1-3-15-18-14(19-25-15)10-20(2)17(24)11-7-16(23)21(9-11)12-5-4-6-13(22)8-12/h4-6,8,11,22H,3,7,9-10H2,1-2H3/t11-/m1/s1
InChIKeyUTVCVZSKMZMCBM-LLVKDONJSA-N
XLogP1.35
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95201429
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
(3R)-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95140306
(3R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 38303823
1-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46587179
1-(1,3-benzodioxol-5-yl)-N-methyl-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55581832
(3R)-N-methyl-5-oxo-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 96577692
(3S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 94006173
(3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 97124040
1-(3-bromophenyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55675481
(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 2559806
N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 136566998

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 95190660) is (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CCc1nc(CN(C)C(=O)[C@@H]2CC(=O)N(c3cccc(O)c3)C2)no1.
What is the InChIKey of (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UTVCVZSKMZMCBM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-3-15-18-14(19-25-15)10-20(2)17(24)11-7-16(23)21(9-11)12-5-4-6-13(22)8-12/h4-6,8,11,22H,3,7,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95190660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).