6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

C17H28N4O2 — CID 23554761

IUPAC6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCCN1CCCCC(CN2CCc3ncoc3C(NC)C2=O)C1
InChIInChI=1S/C17H28N4O2/c1-3-20-8-5-4-6-13(10-20)11-21-9-7-14-16(23-12-19-14)15(18-2)17(21)22/h12-13,15,18H,3-11H2,1-2H3
InChIKeyRIURCKKOZHFNSB-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.44
Rot. Bonds4

About 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one

6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (PubChem CID 23554761) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.

Molecular Properties

Compound Name6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
PubChem CID23554761
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
SMILESCCN1CCCCC(CN2CCc3ncoc3C(NC)C2=O)C1
InChIInChI=1S/C17H28N4O2/c1-3-20-8-5-4-6-13(10-20)11-21-9-7-14-16(23-12-19-14)15(18-2)17(21)22/h12-13,15,18H,3-11H2,1-2H3
InChIKeyRIURCKKOZHFNSB-UHFFFAOYSA-N
XLogP1.44
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1,1-dioxothian-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 23554705
6-cyclohexyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 23554852
6-(2-methoxyethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 23554785
6-(cycloheptylmethyl)-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 91551584
6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554755
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
1-[(1-ethylpiperidin-3-yl)methyl]-6,6-dimethyl-3-(methylamino)azepan-2-one
CID 20798915
8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one
CID 23554653
1-(cycloheptylmethyl)-3-(methylamino)azepan-2-one
CID 22984797
6-[(1,1-dioxothian-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothian-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylazepan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylpiperidin-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1-ethylpiperidin-4-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxetan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxiran-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxolan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiepan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 158607058
8-(methylamino)-6-(thiolan-2-ylmethyl)-4,5,6,8-tetrahydrocyclohepta[d][1,3]oxazol-7-one
CID 59892091

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The IUPAC name of 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one (CID 23554761) is 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one.
What is the SMILES notation for 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The canonical SMILES for 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is CCN1CCCCC(CN2CCc3ncoc3C(NC)C2=O)C1.
What is the InChIKey of 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
The InChIKey is RIURCKKOZHFNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-20-8-5-4-6-13(10-20)11-21-9-7-14-16(23-12-19-14)15(18-2)17(21)22/h12-13,15,18H,3-11H2,1-2H3.
What are the key properties of 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one?
6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one has a molecular weight of 320.44 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylazepan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one is sourced from PubChem (CID 23554761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).