propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate

C18H21NO4 — CID 168526053

IUPACpropyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate
SMILESCCCOC(=O)c1cc(-c2ccco2)ccc1N1CCOCC1
InChIInChI=1S/C18H21NO4/c1-2-9-23-18(20)15-13-14(17-4-3-10-22-17)5-6-16(15)19-7-11-21-12-8-19/h3-6,10,13H,2,7-9,11-12H2,1H3
InChIKeyBVJNYBLEIJRFTJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.35
Rot. Bonds5

About propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate

propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate (PubChem CID 168526053) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namepropyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate
PubChem CID168526053
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namepropyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate
SMILESCCCOC(=O)c1cc(-c2ccco2)ccc1N1CCOCC1
InChIInChI=1S/C18H21NO4/c1-2-9-23-18(20)15-13-14(17-4-3-10-22-17)5-6-16(15)19-7-11-21-12-8-19/h3-6,10,13H,2,7-9,11-12H2,1H3
InChIKeyBVJNYBLEIJRFTJ-UHFFFAOYSA-N
XLogP3.35
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(furan-2-yl)-2-morpholin-4-ylphenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 66987585
propyl 5-isocyanato-2-morpholin-4-ylbenzoate
CID 169353404
4-[4-(furan-2-yl)-2-methoxyphenyl]morpholine
CID 168525030
propyl 2-morpholin-4-yl-5-(pentanoylamino)benzoate
CID 7328805
propyl 5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 7328823
propyl 5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-morpholin-4-ylbenzoate
CID 168559894
propyl 5-amino-2-(4-methylpiperazin-1-yl)benzoate
CID 56737132
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
4-[2-(furan-2-yl)-4-methylphenyl]morpholine
CID 168526395
propyl 5-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoate
CID 129450821
2-(2-fluorophenoxy)ethyl 2-morpholin-4-yl-5-nitrobenzoate
CID 9118295
2-benzoyloxyethyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate
CID 42983355

Frequently Asked Questions

What is the IUPAC name of propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate?
The IUPAC name of propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate (CID 168526053) is propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate.
What is the SMILES notation for propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate?
The canonical SMILES for propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate is CCCOC(=O)c1cc(-c2ccco2)ccc1N1CCOCC1.
What is the InChIKey of propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate?
The InChIKey is BVJNYBLEIJRFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-9-23-18(20)15-13-14(17-4-3-10-22-17)5-6-16(15)19-7-11-21-12-8-19/h3-6,10,13H,2,7-9,11-12H2,1H3.
What are the key properties of propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate?
propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate has a molecular weight of 315.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-(furan-2-yl)-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 168526053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).