benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate

C22H19NO5 — CID 75450126

IUPACbenzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate
SMILESO=C(OCc1ccccc1)C1CN(C(=O)c2ccc(Oc3ccccc3)o2)C1
InChIInChI=1S/C22H19NO5/c24-21(19-11-12-20(28-19)27-18-9-5-2-6-10-18)23-13-17(14-23)22(25)26-15-16-7-3-1-4-8-16/h1-12,17H,13-15H2
InChIKeyKWBHYAOWNPPJJC-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.89
Rot. Bonds6

About benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate

benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate (PubChem CID 75450126) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate
PubChem CID75450126
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Namebenzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate
SMILESO=C(OCc1ccccc1)C1CN(C(=O)c2ccc(Oc3ccccc3)o2)C1
InChIInChI=1S/C22H19NO5/c24-21(19-11-12-20(28-19)27-18-9-5-2-6-10-18)23-13-17(14-23)22(25)26-15-16-7-3-1-4-8-16/h1-12,17H,13-15H2
InChIKeyKWBHYAOWNPPJJC-UHFFFAOYSA-N
XLogP3.89
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 56891178
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(5-phenoxyfuran-2-yl)methanone
CID 135098413
benzyl 1-(1-benzyl-5-methylpyrazole-4-carbonyl)azetidine-3-carboxylate
CID 75450681
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 110003438
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl 1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176728132

Frequently Asked Questions

What is the IUPAC name of benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate?
The IUPAC name of benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate (CID 75450126) is benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate.
What is the SMILES notation for benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate?
The canonical SMILES for benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate is O=C(OCc1ccccc1)C1CN(C(=O)c2ccc(Oc3ccccc3)o2)C1.
What is the InChIKey of benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate?
The InChIKey is KWBHYAOWNPPJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO5/c24-21(19-11-12-20(28-19)27-18-9-5-2-6-10-18)23-13-17(14-23)22(25)26-15-16-7-3-1-4-8-16/h1-12,17H,13-15H2.
What are the key properties of benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate?
benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-(5-phenoxyfuran-2-carbonyl)azetidine-3-carboxylate is sourced from PubChem (CID 75450126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).