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

C18H22N4O5 — CID 92589248

IUPAC(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)no1
InChIInChI=1S/C18H22N4O5/c1-4-16-20-15(21-27-16)9-19-18(24)11-7-17(23)22(10-11)13-6-5-12(25-2)8-14(13)26-3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,19,24)/t11-/m1/s1
InChIKeyCLCJRRQMWWQHQN-LLVKDONJSA-N
MW374.40 g/mol
LogP1.32
Rot. Bonds7

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

(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92589248) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID92589248
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)no1
InChIInChI=1S/C18H22N4O5/c1-4-16-20-15(21-27-16)9-19-18(24)11-7-17(23)22(10-11)13-6-5-12(25-2)8-14(13)26-3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,19,24)/t11-/m1/s1
InChIKeyCLCJRRQMWWQHQN-LLVKDONJSA-N
XLogP1.32
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
1-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51149994
N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 17187446
(3R)-1-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9351564
methyl 4-[[(3S)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 9317880
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750
(3S)-1-(2,4-dimethoxyphenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42473597
(3R)-1-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 97072987
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351420
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17191897

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 92589248) is (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)no1.
What is the InChIKey of (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CLCJRRQMWWQHQN-LLVKDONJSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-4-16-20-15(21-27-16)9-19-18(24)11-7-17(23)22(10-11)13-6-5-12(25-2)8-14(13)26-3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,19,24)/t11-/m1/s1.
What are the key properties of (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dimethoxyphenyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92589248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).