1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid

C25H24FNO5 — CID 58415316

IUPAC1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1
InChIInChI=1S/C25H24FNO5/c26-21-10-16(24(28)27-12-18(13-27)25(29)30)5-7-20(21)23-11-17-9-19(6-8-22(17)32-23)31-14-15-3-1-2-4-15/h5-11,15,18H,1-4,12-14H2,(H,29,30)
InChIKeyIUXBDYXOISYBIO-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.96
Rot. Bonds6

About 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid

1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid (PubChem CID 58415316) has the molecular formula C25H24FNO5 and a molecular weight of 437.47 g/mol. Its IUPAC name is 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid
PubChem CID58415316
Molecular FormulaC25H24FNO5
Molecular Weight437.47 g/mol
Exact Mass437.16
IUPAC Name1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1
InChIInChI=1S/C25H24FNO5/c26-21-10-16(24(28)27-12-18(13-27)25(29)30)5-7-20(21)23-11-17-9-19(6-8-22(17)32-23)31-14-15-3-1-2-4-15/h5-11,15,18H,1-4,12-14H2,(H,29,30)
InChIKeyIUXBDYXOISYBIO-UHFFFAOYSA-N
XLogP4.96
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid with MolForge

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Related Compounds

1-(4-(5-(Cyclopentylmethoxy)benzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 16735046
1-(4-(5-(Cyclopropylmethoxy)benzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 16736754
1-(4-(5-Butoxybenzofuran-2-yl)-3-chlorobenzyl)azetidine-3-carboxylic acid
CID 16736755
1-(4-(5-Butoxybenzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 16737130
1-(4-(5-Butoxybenzofuran-2-yl)-3-methoxybenzyl)azetidine-3-carboxylic acid
CID 16737316
1-(4-(5-Cyclohexylbenzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 16737319
1-(4-(5-Benzylbenzofuran-2-yl)-2-fluorobenzyl)azetidine-3-carboxylic acid
CID 16737507
1-(4-(5-Phenoxybenzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
CID 16737511
1-(4-(5-Benzylbenzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 16737679
1-(4-(6-Benzylbenzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid
CID 53320088
1-(4-(5-Butoxybenzofuran-2-yl)benzyl)azetidine-3-carboxylic acid
CID 53322110
(E)-6-[2-[[[3-fluoro-4-(furan-2-yl)benzoyl]-methylamino]methyl]phenoxy]-4-methylhex-4-enoic acid
CID 121269380

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid (CID 58415316) is 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid is O=C(O)C1CN(C(=O)c2ccc(-c3cc4cc(OCC5CCCC5)ccc4o3)c(F)c2)C1.
What is the InChIKey of 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid?
The InChIKey is IUXBDYXOISYBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO5/c26-21-10-16(24(28)27-12-18(13-27)25(29)30)5-7-20(21)23-11-17-9-19(6-8-22(17)32-23)31-14-15-3-1-2-4-15/h5-11,15,18H,1-4,12-14H2,(H,29,30).
What are the key properties of 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid?
1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid has a molecular weight of 437.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(cyclopentylmethoxy)-1-benzofuran-2-yl]-3-fluorobenzoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 58415316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).