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

C14H17N5O3 — CID 134790724

IUPAC3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide
SMILESCN(C)C(=O)C1=NOC2CN(C(=O)Nc3cccnc3)CC12
InChIInChI=1S/C14H17N5O3/c1-18(2)13(20)12-10-7-19(8-11(10)22-17-12)14(21)16-9-4-3-5-15-6-9/h3-6,10-11H,7-8H2,1-2H3,(H,16,21)
InChIKeyDZQVIFVMCLWJNL-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.39
Rot. Bonds2

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

3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide (PubChem CID 134790724) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide
PubChem CID134790724
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide
SMILESCN(C)C(=O)C1=NOC2CN(C(=O)Nc3cccnc3)CC12
InChIInChI=1S/C14H17N5O3/c1-18(2)13(20)12-10-7-19(8-11(10)22-17-12)14(21)16-9-4-3-5-15-6-9/h3-6,10-11H,7-8H2,1-2H3,(H,16,21)
InChIKeyDZQVIFVMCLWJNL-UHFFFAOYSA-N
XLogP0.39
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-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,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide (CID 134790724) is 3-N,3-N-dimethyl-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,3-N-dimethyl-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,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide is CN(C)C(=O)C1=NOC2CN(C(=O)Nc3cccnc3)CC12.
What is the InChIKey of 3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide?
The InChIKey is DZQVIFVMCLWJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-18(2)13(20)12-10-7-19(8-11(10)22-17-12)14(21)16-9-4-3-5-15-6-9/h3-6,10-11H,7-8H2,1-2H3,(H,16,21).
What are the key properties of 3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide?
3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-5-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3,5-dicarboxamide is sourced from PubChem (CID 134790724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).