3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide

C15H19N5O3 — CID 134790840

IUPAC3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide
SMILESCC(C)NC(=O)C1=NOC2CN(C(=O)Nc3cccnc3)CC12
InChIInChI=1S/C15H19N5O3/c1-9(2)17-14(21)13-11-7-20(8-12(11)23-19-13)15(22)18-10-4-3-5-16-6-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyYBFTVBBNZZIBFZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.82
Rot. Bonds3

About 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide

3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide (PubChem CID 134790840) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide
PubChem CID134790840
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide
SMILESCC(C)NC(=O)C1=NOC2CN(C(=O)Nc3cccnc3)CC12
InChIInChI=1S/C15H19N5O3/c1-9(2)17-14(21)13-11-7-20(8-12(11)23-19-13)15(22)18-10-4-3-5-16-6-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyYBFTVBBNZZIBFZ-UHFFFAOYSA-N
XLogP0.82
TPSA95.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide?
The IUPAC name of 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide (CID 134790840) is 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide is CC(C)NC(=O)C1=NOC2CN(C(=O)Nc3cccnc3)CC12.
What is the InChIKey of 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide?
The InChIKey is YBFTVBBNZZIBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9(2)17-14(21)13-11-7-20(8-12(11)23-19-13)15(22)18-10-4-3-5-16-6-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide?
3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-yl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide is sourced from PubChem (CID 134790840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).