1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone

C11H17N3O3 — CID 83898486

IUPAC1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone
SMILESCOc1noc(C(=O)N2CCCNCC2)c1C
InChIInChI=1S/C11H17N3O3/c1-8-9(17-13-10(8)16-2)11(15)14-6-3-4-12-5-7-14/h12H,3-7H2,1-2H3
InChIKeyQNEYICBIZHZSOU-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.43
Rot. Bonds2

About 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone

1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 83898486) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone
PubChem CID83898486
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone
SMILESCOc1noc(C(=O)N2CCCNCC2)c1C
InChIInChI=1S/C11H17N3O3/c1-8-9(17-13-10(8)16-2)11(15)14-6-3-4-12-5-7-14/h12H,3-7H2,1-2H3
InChIKeyQNEYICBIZHZSOU-UHFFFAOYSA-N
XLogP0.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-diazepan-1-yl-(4,5-dimethyl-1,3-oxazol-2-yl)methanone
CID 110833123
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199
1,4-diazepan-1-yl-(2,5-dimethoxy-4-methylphenyl)methanone
CID 95482231
(4-cyclohexylsulfanyl-3-methyl-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
CID 71123087
1,4-diazepan-1-yl-(2-methoxy-4-methylphenyl)methanone
CID 110833035
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
(4-chloro-3-methyl-1,2-oxazol-5-yl)-piperidin-1-ylmethanone
CID 20868367
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
1,4-diazepan-1-yl-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119414366
1,4-diazepan-1-yl-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119415283

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone (CID 83898486) is 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone is COc1noc(C(=O)N2CCCNCC2)c1C.
What is the InChIKey of 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is QNEYICBIZHZSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8-9(17-13-10(8)16-2)11(15)14-6-3-4-12-5-7-14/h12H,3-7H2,1-2H3.
What are the key properties of 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone?
1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 239.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-(3-methoxy-4-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 83898486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).