N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C17H22N4O3 — CID 86880316

IUPACN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCC3CN4CCCC4CO3)cc12
InChIInChI=1S/C17H22N4O3/c1-2-15-14-6-11(7-19-17(14)24-20-15)16(22)18-8-13-9-21-5-3-4-12(21)10-23-13/h6-7,12-13H,2-5,8-10H2,1H3,(H,18,22)
InChIKeyLDZSCRRYKIVLHB-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.38
Rot. Bonds4

About N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 86880316) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID86880316
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCCc1noc2ncc(C(=O)NCC3CN4CCCC4CO3)cc12
InChIInChI=1S/C17H22N4O3/c1-2-15-14-6-11(7-19-17(14)24-20-15)16(22)18-8-13-9-21-5-3-4-12(21)10-23-13/h6-7,12-13H,2-5,8-10H2,1H3,(H,18,22)
InChIKeyLDZSCRRYKIVLHB-UHFFFAOYSA-N
XLogP1.38
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 86880316) is N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CCc1noc2ncc(C(=O)NCC3CN4CCCC4CO3)cc12.
What is the InChIKey of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is LDZSCRRYKIVLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-15-14-6-11(7-19-17(14)24-20-15)16(22)18-8-13-9-21-5-3-4-12(21)10-23-13/h6-7,12-13H,2-5,8-10H2,1H3,(H,18,22).
What are the key properties of N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 86880316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).