furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone

C15H14N2O3 — CID 110670703

IUPACfuran-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone
SMILESO=C(c1ccco1)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C15H14N2O3/c18-15(13-5-2-9-19-13)17-7-6-16-8-10-20-12-4-1-3-11(17)14(12)16/h1-5,9H,6-8,10H2
InChIKeyYLTKTCAOECMMAR-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.14
Rot. Bonds1

About furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone

furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone (PubChem CID 110670703) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone
PubChem CID110670703
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Namefuran-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone
SMILESO=C(c1ccco1)N1CCN2CCOc3cccc1c32
InChIInChI=1S/C15H14N2O3/c18-15(13-5-2-9-19-13)17-7-6-16-8-10-20-12-4-1-3-11(17)14(12)16/h1-5,9H,6-8,10H2
InChIKeyYLTKTCAOECMMAR-UHFFFAOYSA-N
XLogP2.14
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)propan-1-one
CID 110670755
(8-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-(furan-2-yl)methanone
CID 82294082
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)ethanone
CID 128559841
furan-2-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 53013851
1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone
CID 75440782
3,4-dichloro-N-[3-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carbonyl)phenyl]benzenesulfonamide
CID 167853518
N-[1-(dimethylamino)-4-hydroxybutan-2-yl]-4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-10-carboxamide
CID 167836716
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
1-(furan-2-carbonyl)pyrrolidin-2-one
CID 14424878
2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
CID 46299935
2,3-dihydro-1,4-benzoxazin-4-yl-(3-methylfuran-2-yl)methanone
CID 47182100
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone?
The IUPAC name of furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone (CID 110670703) is furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone.
What is the SMILES notation for furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone?
The canonical SMILES for furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone is O=C(c1ccco1)N1CCN2CCOc3cccc1c32.
What is the InChIKey of furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone?
The InChIKey is YLTKTCAOECMMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(13-5-2-9-19-13)17-7-6-16-8-10-20-12-4-1-3-11(17)14(12)16/h1-5,9H,6-8,10H2.
What are the key properties of furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone?
furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone has a molecular weight of 270.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)methanone is sourced from PubChem (CID 110670703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).