2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C14H24N4O2 — CID 79077765

IUPAC2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(C2CN3CCCC3CO2)no1
InChIInChI=1S/C14H24N4O2/c1-2-4-10(7-15)14-16-13(17-20-14)12-8-18-6-3-5-11(18)9-19-12/h10-12H,2-9,15H2,1H3
InChIKeyKWKKDUUZUUTUNU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.45
Rot. Bonds5

About 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 79077765) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID79077765
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC(CN)c1nc(C2CN3CCCC3CO2)no1
InChIInChI=1S/C14H24N4O2/c1-2-4-10(7-15)14-16-13(17-20-14)12-8-18-6-3-5-11(18)9-19-12/h10-12H,2-9,15H2,1H3
InChIKeyKWKKDUUZUUTUNU-UHFFFAOYSA-N
XLogP1.45
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine with MolForge

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Related Compounds

2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79791119
rac-N-[(1R,2R)-2-ethoxycyclopentyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 128632999
(3S,4R)-1-[4-imino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pentanimidoyl]-3-methoxy-N-(2-methylpropyl)piperidin-4-amine
CID 123262866
N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 123471404
1-[4-imino-2-(3-methyl-1,2,4-oxadiazol-5-yl)pentanimidoyl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
CID 123931833
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 48915412
3-(Piperidin-3-ylmethoxymethyl)-5-propyl-1,2,4-oxadiazole
CID 55061053
3-methyl-1-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 55202239
2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 55220903
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 56801833
3-(Methoxymethyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 61553421
5-(1-Piperidin-4-ylpyrrolidin-2-yl)-3-(propoxymethyl)-1,2,4-oxadiazole
CID 61811166

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 79077765) is 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC(CN)c1nc(C2CN3CCCC3CO2)no1.
What is the InChIKey of 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is KWKKDUUZUUTUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-4-10(7-15)14-16-13(17-20-14)12-8-18-6-3-5-11(18)9-19-12/h10-12H,2-9,15H2,1H3.
What are the key properties of 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 280.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 79077765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).