2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide

C18H19N3O4 — CID 977141

IUPAC2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)no1
InChIInChI=1S/C18H19N3O4/c1-10(2)6-7-21-17(23)13-5-4-12(9-14(13)18(21)24)16(22)19-15-8-11(3)25-20-15/h4-5,8-10H,6-7H2,1-3H3,(H,19,20,22)
InChIKeyGRWLOOHWAGONFV-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.88
Rot. Bonds5

About 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide

2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 977141) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID977141
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)no1
InChIInChI=1S/C18H19N3O4/c1-10(2)6-7-21-17(23)13-5-4-12(9-14(13)18(21)24)16(22)19-15-8-11(3)25-20-15/h4-5,8-10H,6-7H2,1-3H3,(H,19,20,22)
InChIKeyGRWLOOHWAGONFV-UHFFFAOYSA-N
XLogP2.88
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.88
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

Soretolide
CID 198730
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
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CID 20924386
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 884750
1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909514
N-(5-methyl-1,2-oxazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
CID 670727
2-cyclohexyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1331098
2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1331616
N-(5-methyl-3-isoxazolyl)-1,3-dioxo-2-propyl-5-isoindolinecarboxamide
CID 2953834
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-methylisoxazol-3-yl)propanamide
CID 2966361
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(5-methyl-3-isoxazolyl)butanamide
CID 2972876

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide (CID 977141) is 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)no1.
What is the InChIKey of 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is GRWLOOHWAGONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-10(2)6-7-21-17(23)13-5-4-12(9-14(13)18(21)24)16(22)19-15-8-11(3)25-20-15/h4-5,8-10H,6-7H2,1-3H3,(H,19,20,22).
What are the key properties of 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 977141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).