1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone

C16H20N2O4 — CID 20906381

IUPAC1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
SMILESO=C(COCc1cc(-c2ccco2)on1)N1CCCCCC1
InChIInChI=1S/C16H20N2O4/c19-16(18-7-3-1-2-4-8-18)12-20-11-13-10-15(22-17-13)14-6-5-9-21-14/h5-6,9-10H,1-4,7-8,11-12H2
InChIKeyJSLIHUDHZMDHBR-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.85
Rot. Bonds5

About 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone

1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone (PubChem CID 20906381) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
PubChem CID20906381
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
SMILESO=C(COCc1cc(-c2ccco2)on1)N1CCCCCC1
InChIInChI=1S/C16H20N2O4/c19-16(18-7-3-1-2-4-8-18)12-20-11-13-10-15(22-17-13)14-6-5-9-21-14/h5-6,9-10H,1-4,7-8,11-12H2
InChIKeyJSLIHUDHZMDHBR-UHFFFAOYSA-N
XLogP2.85
TPSA68.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 20906383
1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 17254280
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 20906407
N-butan-2-yl-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254268
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-N-prop-2-enylacetamide
CID 17254256
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
1-[4-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]-2-phenoxyethanone
CID 110328710
[2-(azepan-1-yl)-2-oxoethyl] 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 71942758
N-(2-benzoylphenyl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetamide
CID 17254324
ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate
CID 20906318
[2-(azocan-1-yl)-2-oxoethyl] 3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoate
CID 55554287
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone (CID 20906381) is 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone is O=C(COCc1cc(-c2ccco2)on1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
The InChIKey is JSLIHUDHZMDHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-16(18-7-3-1-2-4-8-18)12-20-11-13-10-15(22-17-13)14-6-5-9-21-14/h5-6,9-10H,1-4,7-8,11-12H2.
What are the key properties of 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone?
1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone has a molecular weight of 304.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone is sourced from PubChem (CID 20906381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).