5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine

C7H11N3O — CID 84649760

IUPAC5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine
SMILESNc1nc2c(o1)CCNCC2
InChIInChI=1S/C7H11N3O/c8-7-10-5-1-3-9-4-2-6(5)11-7/h9H,1-4H2,(H2,8,10)
InChIKeyWLURPUFWHRATRI-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.05
Rot. Bonds

About 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine

5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine (PubChem CID 84649760) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine
PubChem CID84649760
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine
SMILESNc1nc2c(o1)CCNCC2
InChIInChI=1S/C7H11N3O/c8-7-10-5-1-3-9-4-2-6(5)11-7/h9H,1-4H2,(H2,8,10)
InChIKeyWLURPUFWHRATRI-UHFFFAOYSA-N
XLogP-0.05
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine?
The IUPAC name of 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine (CID 84649760) is 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine is Nc1nc2c(o1)CCNCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine?
The InChIKey is WLURPUFWHRATRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-7-10-5-1-3-9-4-2-6(5)11-7/h9H,1-4H2,(H2,8,10).
What are the key properties of 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine?
5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine has a molecular weight of 153.19 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine is sourced from PubChem (CID 84649760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).