(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone

C10H12BrNO3 — CID 62060856

IUPAC(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCOCC1
InChIInChI=1S/C10H12BrNO3/c11-9-3-2-8(15-9)10(13)12-4-1-6-14-7-5-12/h2-3H,1,4-7H2
InChIKeyXFMCWBQPBSOPEV-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.90
Rot. Bonds1

About (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone

(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 62060856) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
PubChem CID62060856
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCCOCC1
InChIInChI=1S/C10H12BrNO3/c11-9-3-2-8(15-9)10(13)12-4-1-6-14-7-5-12/h2-3H,1,4-7H2
InChIKeyXFMCWBQPBSOPEV-UHFFFAOYSA-N
XLogP1.90
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 60707747
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
3-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543314
(5-bromofuran-2-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308791
1-[5-(morpholine-4-carbonyl)furan-2-yl]ethanone
CID 162740880
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568304
(5-bromofuran-2-yl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108545693
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110814815

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone (CID 62060856) is (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone is O=C(c1ccc(Br)o1)N1CCCOCC1.
What is the InChIKey of (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is XFMCWBQPBSOPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-9-3-2-8(15-9)10(13)12-4-1-6-14-7-5-12/h2-3H,1,4-7H2.
What are the key properties of (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone?
(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 274.11 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62060856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).