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

C9H15N3O — CID 2277

IUPAC6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
SMILESCCN1CCc2nc(N)oc2CC1
InChIInChI=1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)
InChIKeyZNXAJGZPUQOEDZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.68
Rot. Bonds1

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

6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine (PubChem CID 2277) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine.

Molecular Properties

Compound Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
PubChem CID2277
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
SMILESCCN1CCc2nc(N)oc2CC1
InChIInChI=1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)
InChIKeyZNXAJGZPUQOEDZ-UHFFFAOYSA-N
XLogP0.68
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydrochloride
CID 23615578
5-ethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-amine
CID 66202304
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-cyclohexylmethanone
CID 115267997
(4aS,8aS)-5-ethyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;(Z)-but-2-enedioic acid
CID 67935802
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
(2-amino-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-pyridin-2-ylmethanone
CID 115273392
1,4-diethylpiperazine;sulfane
CID 177062456
2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 62923059
6-ethyl-4,5,7,8-tetrahydro-[1,2]oxazolo[4,5-d]azepine-3-carboxylic acid
CID 83916744
(4aR,8aR)-5-methyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]oxazolo[4,5-g]quinolin-2-amine;dihydrochloride
CID 67935687
2-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)guanidine
CID 10082387
11-amino-1,2,4,5-tetrahydrooxepino[4,5-b]quinoline-8,9-diol;1-ethylpiperidine
CID 142531992

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?
The IUPAC name of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine (CID 2277) is 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine.
What is the SMILES notation for 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine?
The canonical SMILES for 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine is CCN1CCc2nc(N)oc2CC1.
What is the InChIKey of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine?
The InChIKey is ZNXAJGZPUQOEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11).
What are the key properties of 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine?
6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 0.68, 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 is sourced from PubChem (CID 2277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).