5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide

C16H15N3O5 — CID 154772535

IUPAC5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1oncc1C(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C16H15N3O5/c1-19-13(20)7-11(16(19)22)18-15(21)10-8-17-24-14(10)9-5-3-4-6-12(9)23-2/h3-6,8,11H,7H2,1-2H3,(H,18,21)
InChIKeyPQVRUBSRDSMHBQ-UHFFFAOYSA-N
MW329.31 g/mol
LogP0.84
Rot. Bonds4

About 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide

5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 154772535) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID154772535
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide
SMILESCOc1ccccc1-c1oncc1C(=O)NC1CC(=O)N(C)C1=O
InChIInChI=1S/C16H15N3O5/c1-19-13(20)7-11(16(19)22)18-15(21)10-8-17-24-14(10)9-5-3-4-6-12(9)23-2/h3-6,8,11H,7H2,1-2H3,(H,18,21)
InChIKeyPQVRUBSRDSMHBQ-UHFFFAOYSA-N
XLogP0.84
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide (CID 154772535) is 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide is COc1ccccc1-c1oncc1C(=O)NC1CC(=O)N(C)C1=O.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is PQVRUBSRDSMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-19-13(20)7-11(16(19)22)18-15(21)10-8-17-24-14(10)9-5-3-4-6-12(9)23-2/h3-6,8,11H,7H2,1-2H3,(H,18,21).
What are the key properties of 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide?
5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 154772535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).