1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one

C17H18N2O5 — CID 134815876

IUPAC1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
SMILESO=C(CCc1ccc([N+](=O)[O-])o1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O5/c20-16(7-5-15-6-8-17(24-15)19(21)22)13-1-3-14(4-2-13)18-9-11-23-12-10-18/h1-4,6,8H,5,7,9-12H2
InChIKeyHOEGZYOSYZJNBL-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.84
Rot. Bonds6

About 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one

1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one (PubChem CID 134815876) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
PubChem CID134815876
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one
SMILESO=C(CCc1ccc([N+](=O)[O-])o1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O5/c20-16(7-5-15-6-8-17(24-15)19(21)22)13-1-3-14(4-2-13)18-9-11-23-12-10-18/h1-4,6,8H,5,7,9-12H2
InChIKeyHOEGZYOSYZJNBL-UHFFFAOYSA-N
XLogP2.84
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-morpholin-4-ylphenyl)-3-(3-nitrophenyl)propan-1-one
CID 53415708
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
ethane;methanol;4-(4-nitrophenyl)morpholine
CID 177318557
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
[3-(4-nitrophenyl)-3-oxopropyl] morpholine-4-carbodithioate
CID 54324305
5-(4-methylphenyl)-1-(4-morpholin-4-ylphenyl)pentan-1-one
CID 90150489
1-(4-morpholin-4-ylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 4559641
2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
CID 134216761
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
3-morpholin-4-yl-5-nitrobenzoic acid
CID 59817793

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one (CID 134815876) is 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one is O=C(CCc1ccc([N+](=O)[O-])o1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one?
The InChIKey is HOEGZYOSYZJNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-16(7-5-15-6-8-17(24-15)19(21)22)13-1-3-14(4-2-13)18-9-11-23-12-10-18/h1-4,6,8H,5,7,9-12H2.
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one?
1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one has a molecular weight of 330.34 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-(5-nitrofuran-2-yl)propan-1-one is sourced from PubChem (CID 134815876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).