2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H9Cl2N3O4 — CID 2525364

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)no1
InChIInChI=1S/C14H9Cl2N3O4/c1-6-2-11(18-23-6)17-12(20)5-19-13(21)7-3-9(15)10(16)4-8(7)14(19)22/h2-4H,5H2,1H3,(H,17,18,20)
InChIKeyDLUCGQMCFULPRV-UHFFFAOYSA-N
MW354.15 g/mol
LogP2.52
Rot. Bonds3

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2525364) has the molecular formula C14H9Cl2N3O4 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2525364
Molecular FormulaC14H9Cl2N3O4
Molecular Weight354.15 g/mol
Exact Mass353.00
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)no1
InChIInChI=1S/C14H9Cl2N3O4/c1-6-2-11(18-23-6)17-12(20)5-19-13(21)7-3-9(15)10(16)4-8(7)14(19)22/h2-4H,5H2,1H3,(H,17,18,20)
InChIKeyDLUCGQMCFULPRV-UHFFFAOYSA-N
XLogP2.52
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507063
2-(2,5-dioxoimidazolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110686831
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 2708454
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 2649006
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-ethylphenyl)acetamide
CID 7404543
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2435183
4-(1,3-dioxoisoindol-2-yl)-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]butanamide
CID 110370396
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 2953834
methyl 4-[[2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetyl]amino]-3-methylbenzoate
CID 36930835
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121064039

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2525364) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)no1.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is DLUCGQMCFULPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O4/c1-6-2-11(18-23-6)17-12(20)5-19-13(21)7-3-9(15)10(16)4-8(7)14(19)22/h2-4H,5H2,1H3,(H,17,18,20).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 354.15 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2525364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).