3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide

C21H19N3O4 — CID 175964567

IUPAC3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)no2)C1=O
InChIInChI=1S/C21H19N3O4/c1-24-9-8-21(27,20(24)26)18-12-17(23-28-18)15-6-2-4-13(10-15)14-5-3-7-16(11-14)19(22)25/h2-7,10-12,27H,8-9H2,1H3,(H2,22,25)/t21-/m1/s1
InChIKeyYAWCAULRUQMNOY-OAQYLSRUSA-N
MW377.40 g/mol
LogP2.16
Rot. Bonds4

About 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide

3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide (PubChem CID 175964567) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
PubChem CID175964567
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide
SMILESCN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)no2)C1=O
InChIInChI=1S/C21H19N3O4/c1-24-9-8-21(27,20(24)26)18-12-17(23-28-18)15-6-2-4-13(10-15)14-5-3-7-16(11-14)19(22)25/h2-7,10-12,27H,8-9H2,1H3,(H2,22,25)/t21-/m1/s1
InChIKeyYAWCAULRUQMNOY-OAQYLSRUSA-N
XLogP2.16
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?
The IUPAC name of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide (CID 175964567) is 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?
The canonical SMILES for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide is CN1CC[C@@](O)(c2cc(-c3cccc(-c4cccc(C(N)=O)c4)c3)no2)C1=O.
What is the InChIKey of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?
The InChIKey is YAWCAULRUQMNOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-24-9-8-21(27,20(24)26)18-12-17(23-28-18)15-6-2-4-13(10-15)14-5-3-7-16(11-14)19(22)25/h2-7,10-12,27H,8-9H2,1H3,(H2,22,25)/t21-/m1/s1.
What are the key properties of 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide?
3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide has a molecular weight of 377.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 175964567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).