N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide

C16H19N5O3 — CID 134789347

IUPACN-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1)N1CC2ON=C(C(=O)N3CCCC3)C2C1
InChIInChI=1S/C16H19N5O3/c22-15(20-6-1-2-7-20)14-12-9-21(10-13(12)24-19-14)16(23)18-11-4-3-5-17-8-11/h3-5,8,12-13H,1-2,6-7,9-10H2,(H,18,23)
InChIKeyMOTIBVJVBRALGS-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.92
Rot. Bonds2

About N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide

N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide (PubChem CID 134789347) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide
PubChem CID134789347
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1)N1CC2ON=C(C(=O)N3CCCC3)C2C1
InChIInChI=1S/C16H19N5O3/c22-15(20-6-1-2-7-20)14-12-9-21(10-13(12)24-19-14)16(23)18-11-4-3-5-17-8-11/h3-5,8,12-13H,1-2,6-7,9-10H2,(H,18,23)
InChIKeyMOTIBVJVBRALGS-UHFFFAOYSA-N
XLogP0.92
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
The IUPAC name of N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide (CID 134789347) is N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
The canonical SMILES for N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide is O=C(Nc1cccnc1)N1CC2ON=C(C(=O)N3CCCC3)C2C1.
What is the InChIKey of N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
The InChIKey is MOTIBVJVBRALGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-15(20-6-1-2-7-20)14-12-9-21(10-13(12)24-19-14)16(23)18-11-4-3-5-17-8-11/h3-5,8,12-13H,1-2,6-7,9-10H2,(H,18,23).
What are the key properties of N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-3-(pyrrolidine-1-carbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide is sourced from PubChem (CID 134789347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).