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

C16H19N5O4 — CID 134787610

IUPAC3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1)N1CC2ON=C(C(=O)N3CCOCC3)C2C1
InChIInChI=1S/C16H19N5O4/c22-15(20-4-6-24-7-5-20)14-12-9-21(10-13(12)25-19-14)16(23)18-11-2-1-3-17-8-11/h1-3,8,12-13H,4-7,9-10H2,(H,18,23)
InChIKeyHRLJRNHJWAHAAT-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.16
Rot. Bonds2

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

3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide (PubChem CID 134787610) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide
PubChem CID134787610
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide
SMILESO=C(Nc1cccnc1)N1CC2ON=C(C(=O)N3CCOCC3)C2C1
InChIInChI=1S/C16H19N5O4/c22-15(20-4-6-24-7-5-20)14-12-9-21(10-13(12)25-19-14)16(23)18-11-2-1-3-17-8-11/h1-3,8,12-13H,4-7,9-10H2,(H,18,23)
InChIKeyHRLJRNHJWAHAAT-UHFFFAOYSA-N
XLogP0.16
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
The IUPAC name of 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide (CID 134787610) is 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide.
What is the SMILES notation for 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
The canonical SMILES for 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide is O=C(Nc1cccnc1)N1CC2ON=C(C(=O)N3CCOCC3)C2C1.
What is the InChIKey of 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
The InChIKey is HRLJRNHJWAHAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c22-15(20-4-6-24-7-5-20)14-12-9-21(10-13(12)25-19-14)16(23)18-11-2-1-3-17-8-11/h1-3,8,12-13H,4-7,9-10H2,(H,18,23).
What are the key properties of 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide?
3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)-N-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxamide is sourced from PubChem (CID 134787610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).