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

C19H19N3O4 — CID 1331098

IUPAC2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1
InChIInChI=1S/C19H19N3O4/c1-11-9-16(21-26-11)20-17(23)12-7-8-14-15(10-12)19(25)22(18(14)24)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,20,21,23)
InChIKeyJRWKCNOTEZRVLS-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.16
Rot. Bonds3

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

2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1331098) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1331098
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1
InChIInChI=1S/C19H19N3O4/c1-11-9-16(21-26-11)20-17(23)12-7-8-14-15(10-12)19(25)22(18(14)24)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,20,21,23)
InChIKeyJRWKCNOTEZRVLS-UHFFFAOYSA-N
XLogP3.16
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide (CID 1331098) is 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)no1.
What is the InChIKey of 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JRWKCNOTEZRVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-11-9-16(21-26-11)20-17(23)12-7-8-14-15(10-12)19(25)22(18(14)24)13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H,20,21,23).
What are the key properties of 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1331098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).