(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine

C5H9N3O — CID 67310454

IUPAC(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine
SMILESNC1=N[C@H]2CNC[C@H]2O1
InChIInChI=1S/C5H9N3O/c6-5-8-3-1-7-2-4(3)9-5/h3-4,7H,1-2H2,(H2,6,8)/t3-,4+/m0/s1
InChIKeySVQOGXARIDFIEJ-IUYQGCFVSA-N
MW127.15 g/mol
LogP-1.33
Rot. Bonds

About (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine

(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine (PubChem CID 67310454) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine.

Molecular Properties

Compound Name(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine
PubChem CID67310454
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine
SMILESNC1=N[C@H]2CNC[C@H]2O1
InChIInChI=1S/C5H9N3O/c6-5-8-3-1-7-2-4(3)9-5/h3-4,7H,1-2H2,(H2,6,8)/t3-,4+/m0/s1
InChIKeySVQOGXARIDFIEJ-IUYQGCFVSA-N
XLogP-1.33
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine with MolForge

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Related Compounds

2-(trifluoromethyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazole
CID 83949332
2-(4-chlorophenyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazole
CID 83949335
3-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-ylmethyl)phenol
CID 115065456
5,6,7,7a-tetrahydro-4aH-[1,4]dioxino[2,3-c]pyrrole-2,3-dione
CID 117274137
5-(2-methylpropyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine
CID 140510356
(1R,5S,6R)-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
CID 141417284
(3aS,6aS)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole
CID 124917431
(3aS,6R,6aR)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazole-2,6-diamine;dihydrochloride
CID 172907589
4-amino-5-oxa-1,3,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-3,9,11-triene-10-carboxamide
CID 102264493
4-(oxolan-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
CID 82838050
1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine
CID 90706888
1-(3-amino-4,5-dihydro-1H-pyrazol-4-yl)ethanol
CID 11007925

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine?
The IUPAC name of (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine (CID 67310454) is (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine.
What is the SMILES notation for (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine?
The canonical SMILES for (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine is NC1=N[C@H]2CNC[C@H]2O1.
What is the InChIKey of (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine?
The InChIKey is SVQOGXARIDFIEJ-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H9N3O/c6-5-8-3-1-7-2-4(3)9-5/h3-4,7H,1-2H2,(H2,6,8)/t3-,4+/m0/s1.
What are the key properties of (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine?
(3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine has a molecular weight of 127.15 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-amine is sourced from PubChem (CID 67310454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).