2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide

C13H20N4O3 — CID 97404562

IUPAC2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide
SMILESCC(C)NC(=O)c1nc2c(o1)CN(C(=O)NC(C)C)C2
InChIInChI=1S/C13H20N4O3/c1-7(2)14-11(18)12-16-9-5-17(6-10(9)20-12)13(19)15-8(3)4/h7-8H,5-6H2,1-4H3,(H,14,18)(H,15,19)
InChIKeyVGBAXWVTIPFMIR-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.25
Rot. Bonds3

About 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide

2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide (PubChem CID 97404562) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide
PubChem CID97404562
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide
SMILESCC(C)NC(=O)c1nc2c(o1)CN(C(=O)NC(C)C)C2
InChIInChI=1S/C13H20N4O3/c1-7(2)14-11(18)12-16-9-5-17(6-10(9)20-12)13(19)15-8(3)4/h7-8H,5-6H2,1-4H3,(H,14,18)(H,15,19)
InChIKeyVGBAXWVTIPFMIR-UHFFFAOYSA-N
XLogP1.25
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide (CID 97404562) is 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide is CC(C)NC(=O)c1nc2c(o1)CN(C(=O)NC(C)C)C2.
What is the InChIKey of 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide?
The InChIKey is VGBAXWVTIPFMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-7(2)14-11(18)12-16-9-5-17(6-10(9)20-12)13(19)15-8(3)4/h7-8H,5-6H2,1-4H3,(H,14,18)(H,15,19).
What are the key properties of 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide?
2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-di(propan-2-yl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2,5-dicarboxamide is sourced from PubChem (CID 97404562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).