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

C10H16N2O — CID 123901144

IUPAC6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
SMILESCCN1CCc2nc(C)oc2CC1
InChIInChI=1S/C10H16N2O/c1-3-12-6-4-9-10(5-7-12)13-8(2)11-9/h3-7H2,1-2H3
InChIKeyHDMDSMNLUWKLRJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.40
Rot. Bonds1

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

6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine (PubChem CID 123901144) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine.

Molecular Properties

Compound Name6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
PubChem CID123901144
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
SMILESCCN1CCc2nc(C)oc2CC1
InChIInChI=1S/C10H16N2O/c1-3-12-6-4-9-10(5-7-12)13-8(2)11-9/h3-7H2,1-2H3
InChIKeyHDMDSMNLUWKLRJ-UHFFFAOYSA-N
XLogP1.40
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
6-Ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;hydron;dichloride
CID 74764363
2-[chloro(difluoro)methyl]-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
CID 130624781
2-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
CID 131123208
2-(difluoromethyl)-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[4,5-d]azepine
CID 131128625
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
4-Ethyl-2-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole
CID 20659895

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine?
The IUPAC name of 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine (CID 123901144) is 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine.
What is the SMILES notation for 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine?
The canonical SMILES for 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine is CCN1CCc2nc(C)oc2CC1.
What is the InChIKey of 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine?
The InChIKey is HDMDSMNLUWKLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-12-6-4-9-10(5-7-12)13-8(2)11-9/h3-7H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine?
6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine has a molecular weight of 180.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine is sourced from PubChem (CID 123901144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).