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

C19H23N3O3 — CID 124514063

IUPAC(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1onc(C)c1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H23N3O3/c1-4-16-18(13(3)21-25-16)20-19(24)15-9-10-17(23)22(15)11-14-7-5-12(2)6-8-14/h5-8,15H,4,9-11H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyGFRMFONDMQTWSQ-OAHLLOKOSA-N
MW341.41 g/mol
LogP2.98
Rot. Bonds5

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

(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 124514063) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID124514063
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1onc(C)c1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H23N3O3/c1-4-16-18(13(3)21-25-16)20-19(24)15-9-10-17(23)22(15)11-14-7-5-12(2)6-8-14/h5-8,15H,4,9-11H2,1-3H3,(H,20,24)/t15-/m1/s1
InChIKeyGFRMFONDMQTWSQ-OAHLLOKOSA-N
XLogP2.98
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 71995121
N-[2-(ethylamino)ethyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119507676
2-[3-[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 125154053
(2S)-2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
CID 119238214
1-benzyl-N-(4-ethylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110387648
N-(5-cyano-2-pyridinyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 71987288
(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985996
cis-(1S,3R)-3-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676508
N-(5-fluoro-1-methylbenzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 126784134
N-(2,3-dimethylcyclohexyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 5092740
(2R)-1-[(4-methylphenyl)methyl]-5-oxo-N-prop-2-enylsulfonylpyrrolidine-2-carboxamide
CID 124514016
4-[2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]ethyl]benzoic acid
CID 119168765

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 124514063) is (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCc1onc(C)c1NC(=O)[C@H]1CCC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GFRMFONDMQTWSQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-16-18(13(3)21-25-16)20-19(24)15-9-10-17(23)22(15)11-14-7-5-12(2)6-8-14/h5-8,15H,4,9-11H2,1-3H3,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 124514063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).