[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone

C20H20N4O5 — CID 42946093

IUPAC[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2nc(-c3ccco3)no2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H20N4O5/c25-20(23-7-10-26-11-8-23)17-12-24(14-4-1-2-5-15(14)28-17)13-18-21-19(22-29-18)16-6-3-9-27-16/h1-6,9,17H,7-8,10-13H2
InChIKeyKXMHHHVOSVGYIO-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.96
Rot. Bonds4

About [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone

[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 42946093) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
PubChem CID42946093
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CN(Cc2nc(-c3ccco3)no2)c2ccccc2O1)N1CCOCC1
InChIInChI=1S/C20H20N4O5/c25-20(23-7-10-26-11-8-23)17-12-24(14-4-1-2-5-15(14)28-17)13-18-21-19(22-29-18)16-6-3-9-27-16/h1-6,9,17H,7-8,10-13H2
InChIKeyKXMHHHVOSVGYIO-UHFFFAOYSA-N
XLogP1.96
TPSA94.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone (CID 42946093) is [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone is O=C(C1CN(Cc2nc(-c3ccco3)no2)c2ccccc2O1)N1CCOCC1.
What is the InChIKey of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is KXMHHHVOSVGYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c25-20(23-7-10-26-11-8-23)17-12-24(14-4-1-2-5-15(14)28-17)13-18-21-19(22-29-18)16-6-3-9-27-16/h1-6,9,17H,7-8,10-13H2.
What are the key properties of [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone?
[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 396.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42946093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).