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

C20H25N3O4 — CID 110087461

IUPAC(2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(CNC(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2ccc(OC)cc2)on1
InChIInChI=1S/C20H25N3O4/c1-4-14-10-16(27-22-14)12-21-20(25)17-11-18(24)23(5-2)19(17)13-6-8-15(26-3)9-7-13/h6-10,17,19H,4-5,11-12H2,1-3H3,(H,21,25)/t17-,19+/m1/s1
InChIKeyXCNPHOYCKHRJGX-MJGOQNOKSA-N
MW371.44 g/mol
LogP2.47
Rot. Bonds7

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

(2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110087461) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110087461
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(CNC(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2ccc(OC)cc2)on1
InChIInChI=1S/C20H25N3O4/c1-4-14-10-16(27-22-14)12-21-20(25)17-11-18(24)23(5-2)19(17)13-6-8-15(26-3)9-7-13/h6-10,17,19H,4-5,11-12H2,1-3H3,(H,21,25)/t17-,19+/m1/s1
InChIKeyXCNPHOYCKHRJGX-MJGOQNOKSA-N
XLogP2.47
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 110087461) is (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cc(CNC(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2ccc(OC)cc2)on1.
What is the InChIKey of (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XCNPHOYCKHRJGX-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-14-10-16(27-22-14)12-21-20(25)17-11-18(24)23(5-2)19(17)13-6-8-15(26-3)9-7-13/h6-10,17,19H,4-5,11-12H2,1-3H3,(H,21,25)/t17-,19+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110087461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).