3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

C14H22N4O2 — CID 104915036

IUPAC3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1CC[C@H](c2nc(C3CN4CCCC4CO3)no2)NC1
InChIInChI=1S/C14H22N4O2/c1-2-6-15-11(5-1)14-16-13(17-20-14)12-8-18-7-3-4-10(18)9-19-12/h10-12,15H,1-9H2/t10?,11-,12?/m1/s1
InChIKeyMFFVMMCAVAQFKZ-MOENNCHZSA-N
MW278.36 g/mol
LogP1.42
Rot. Bonds2

About 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine

3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (PubChem CID 104915036) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
PubChem CID104915036
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
SMILESC1CC[C@H](c2nc(C3CN4CCCC4CO3)no2)NC1
InChIInChI=1S/C14H22N4O2/c1-2-6-15-11(5-1)14-16-13(17-20-14)12-8-18-7-3-4-10(18)9-19-12/h10-12,15H,1-9H2/t10?,11-,12?/m1/s1
InChIKeyMFFVMMCAVAQFKZ-MOENNCHZSA-N
XLogP1.42
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-methyl-2-[5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104915033
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]cyclopentan-1-ol
CID 79094044
4-propan-2-yl-2-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]morpholine
CID 104900713
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
1-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 79078369
3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79086051
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 79078062
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
4-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
CID 79077237

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The IUPAC name of 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine (CID 104915036) is 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is C1CC[C@H](c2nc(C3CN4CCCC4CO3)no2)NC1.
What is the InChIKey of 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
The InChIKey is MFFVMMCAVAQFKZ-MOENNCHZSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-6-15-11(5-1)14-16-13(17-20-14)12-8-18-7-3-4-10(18)9-19-12/h10-12,15H,1-9H2/t10?,11-,12?/m1/s1.
What are the key properties of 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine?
3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine has a molecular weight of 278.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine is sourced from PubChem (CID 104915036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).