5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide

C19H21N3O3 — CID 67121002

IUPAC5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2cc(C)c3c(c2)CN(C(C)C2CC2)C3=O)on1
InChIInChI=1S/C19H21N3O3/c1-10-6-13(16-8-15(21-25-16)18(23)20-3)7-14-9-22(19(24)17(10)14)11(2)12-4-5-12/h6-8,11-12H,4-5,9H2,1-3H3,(H,20,23)
InChIKeyWBUANNDCVMQTQT-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.76
Rot. Bonds4

About 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide

5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 67121002) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID67121002
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCNC(=O)c1cc(-c2cc(C)c3c(c2)CN(C(C)C2CC2)C3=O)on1
InChIInChI=1S/C19H21N3O3/c1-10-6-13(16-8-15(21-25-16)18(23)20-3)7-14-9-22(19(24)17(10)14)11(2)12-4-5-12/h6-8,11-12H,4-5,9H2,1-3H3,(H,20,23)
InChIKeyWBUANNDCVMQTQT-UHFFFAOYSA-N
XLogP2.76
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide (CID 67121002) is 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide is CNC(=O)c1cc(-c2cc(C)c3c(c2)CN(C(C)C2CC2)C3=O)on1.
What is the InChIKey of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is WBUANNDCVMQTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-10-6-13(16-8-15(21-25-16)18(23)20-3)7-14-9-22(19(24)17(10)14)11(2)12-4-5-12/h6-8,11-12H,4-5,9H2,1-3H3,(H,20,23).
What are the key properties of 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide?
5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-cyclopropylethyl)-7-methyl-1-oxo-3H-isoindol-5-yl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 67121002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).