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

C9H17Cl2N3O — CID 74764363

IUPAC6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride
SMILESCCN1CCc2nc(N)oc2CC1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C9H15N3O.2ClH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H
InChIKeyHBLPYIOKPJVFQW-UHFFFAOYSA-N
MW254.16 g/mol
LogP-5.09
Rot. Bonds1

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

6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride (PubChem CID 74764363) has the molecular formula C9H17Cl2N3O and a molecular weight of 254.16 g/mol. Its IUPAC name is 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride.

Molecular Properties

Compound Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride
PubChem CID74764363
Molecular FormulaC9H17Cl2N3O
Molecular Weight254.16 g/mol
Exact Mass253.07
IUPAC Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride
SMILESCCN1CCc2nc(N)oc2CC1.[Cl-].[Cl-].[H+].[H+]
InChIInChI=1S/C9H15N3O.2ClH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H
InChIKeyHBLPYIOKPJVFQW-UHFFFAOYSA-N
XLogP-5.09
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.16
LogP ≤ 5-5.09
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;hydron;dichloride with MolForge

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Related Compounds

Azepexole
CID 2277
Azepexole hydrochloride
CID 169743
Azepexole (hydrochloride)
CID 23615578
6-Ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrobromide
CID 45259526
b-Ht920 dihydrochloride
CID 16219007
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
2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine;hydrochloride
CID 89599408
4,5,7,8-Tetrahydro-[1,3]oxazolo[4,5-d]azepine-2,6-diamine
CID 123395530

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;hydron;dichloride?
The IUPAC name of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride (CID 74764363) is 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride.
What is the SMILES notation for 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride?
The canonical SMILES for 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride is CCN1CCc2nc(N)oc2CC1.[Cl-].[Cl-].[H+].[H+].
What is the InChIKey of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride?
The InChIKey is HBLPYIOKPJVFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.2ClH/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;hydron;dichloride?
6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride has a molecular weight of 254.16 g/mol, XLogP of -5.09, 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;hydron;dichloride is sourced from PubChem (CID 74764363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).