N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide

C21H17N3O4 — CID 2995585

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)c2ccccc2)C3=O)no1
InChIInChI=1S/C21H17N3O4/c1-12-10-18(23-28-12)22-19(25)15-8-9-16-17(11-15)21(27)24(20(16)26)13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,23,25)
InChIKeySJOIUJVEJWSQCU-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.59
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide (PubChem CID 2995585) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
PubChem CID2995585
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)c2ccccc2)C3=O)no1
InChIInChI=1S/C21H17N3O4/c1-12-10-18(23-28-12)22-19(25)15-8-9-16-17(11-15)21(27)24(20(16)26)13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,23,25)
InChIKeySJOIUJVEJWSQCU-UHFFFAOYSA-N
XLogP3.59
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.59
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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
CID 17296231
1,3-dioxo-2-[(1R)-1-phenylethyl]isoindole-5-carboxylic acid
CID 887935
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 2953834
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
4-chloro-2-[[1,3-dioxo-2-[(1S)-1-phenylethyl]isoindole-5-carbonyl]amino]benzoate
CID 6959433
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050664
4-[1,3-dioxo-2-(1-phenylethyl)isoindol-5-yl]oxybenzoate
CID 3519154
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489583
2-[(1S)-1-phenylethyl]isoindole-1,3-dione
CID 792943
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52907271
N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 3160086

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide (CID 2995585) is N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)c2ccccc2)C3=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide?
The InChIKey is SJOIUJVEJWSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-12-10-18(23-28-12)22-19(25)15-8-9-16-17(11-15)21(27)24(20(16)26)13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,22,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide has a molecular weight of 375.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2995585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).