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

C9H17Br2N3O — CID 45259526

IUPAC6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide
SMILESBr.Br.CCN1CCc2nc(N)oc2CC1
InChIInChI=1S/C9H15N3O.2BrH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H
InChIKeyCLDZDTIFTQFQHO-UHFFFAOYSA-N
MW343.06 g/mol
LogP1.83
Rot. Bonds1

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

6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide (PubChem CID 45259526) has the molecular formula C9H17Br2N3O and a molecular weight of 343.06 g/mol. Its IUPAC name is 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide.

Molecular Properties

Compound Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide
PubChem CID45259526
Molecular FormulaC9H17Br2N3O
Molecular Weight343.06 g/mol
Exact Mass340.97
IUPAC Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide
SMILESBr.Br.CCN1CCc2nc(N)oc2CC1
InChIInChI=1S/C9H15N3O.2BrH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H
InChIKeyCLDZDTIFTQFQHO-UHFFFAOYSA-N
XLogP1.83
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.06
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide with MolForge

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Related Compounds

Azepexole
CID 2277
Azepexole hydrochloride
CID 169743
Azepexole (hydrochloride)
CID 23615578
b-Ht920 dihydrochloride
CID 16219007
6-Ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride
CID 74764363
6-Ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine dichloride
CID 51371106
6-Ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine chloride
CID 53313207
6-Methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepin-2-amine
CID 15816909
6-Prop-2-enyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
CID 16219008
5,6,7,8-Tetrahydro-4H-oxazolo[4,5-d]azepin-2-ylamine
CID 84649760
4,5,7,8-Tetrahydro-[1,3]oxazolo[4,5-d]azepine-2,6-diamine
CID 123395530
6-Ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
CID 123901144

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide?
The IUPAC name of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide (CID 45259526) is 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide.
What is the SMILES notation for 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide?
The canonical SMILES for 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide is Br.Br.CCN1CCc2nc(N)oc2CC1.
What is the InChIKey of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide?
The InChIKey is CLDZDTIFTQFQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2BrH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H.
What are the key properties of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide?
6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide has a molecular weight of 343.06 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide is sourced from PubChem (CID 45259526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).