5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine

C9H14N4O2 — CID 103436782

IUPAC5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2CCOC3CCCC32)o1
InChIInChI=1S/C9H14N4O2/c10-8-11-12-9(15-8)13-4-5-14-7-3-1-2-6(7)13/h6-7H,1-5H2,(H2,10,11)
InChIKeyNGYMTIUGIVZIAH-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.41
Rot. Bonds1

About 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 103436782) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine
PubChem CID103436782
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2CCOC3CCCC32)o1
InChIInChI=1S/C9H14N4O2/c10-8-11-12-9(15-8)13-4-5-14-7-3-1-2-6(7)13/h6-7H,1-5H2,(H2,10,11)
InChIKeyNGYMTIUGIVZIAH-UHFFFAOYSA-N
XLogP0.41
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279252
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1H-pyrazol-5-amine
CID 114998479
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropylpyrimidin-4-amine
CID 80961930
4-(3,6-dichloro-1,2,4-triazin-5-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 81037990
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)pyrazin-2-amine
CID 80653626
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-bromopyrimidin-2-amine
CID 80811772
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80812190
(4aR,8aR)-4-pyrimidin-2-yl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 98775699
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718121
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-methylsulfanyl-1,2-thiazol-3-amine
CID 103360803
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116691027
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4,6-difluoroaniline
CID 113325242

Frequently Asked Questions

What is the IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine (CID 103436782) is 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine is Nc1nnc(N2CCOC3CCCC32)o1.
What is the InChIKey of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NGYMTIUGIVZIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-8-11-12-9(15-8)13-4-5-14-7-3-1-2-6(7)13/h6-7H,1-5H2,(H2,10,11).
What are the key properties of 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine?
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 210.24 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 103436782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).