3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

C25H25N5O5 — CID 22511004

IUPAC3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide
SMILESCOc1cc(CCC(=O)Nc2c(C(=O)N3CCN(c4ccccn4)CC3)oc3ccccc23)on1
InChIInChI=1S/C25H25N5O5/c1-33-22-16-17(35-28-22)9-10-21(31)27-23-18-6-2-3-7-19(18)34-24(23)25(32)30-14-12-29(13-15-30)20-8-4-5-11-26-20/h2-8,11,16H,9-10,12-15H2,1H3,(H,27,31)
InChIKeyAZQHSPCPIQPYQF-UHFFFAOYSA-N
MW475.51 g/mol
LogP3.36
Rot. Bonds7

About 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide

3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide (PubChem CID 22511004) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide
PubChem CID22511004
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide
SMILESCOc1cc(CCC(=O)Nc2c(C(=O)N3CCN(c4ccccn4)CC3)oc3ccccc23)on1
InChIInChI=1S/C25H25N5O5/c1-33-22-16-17(35-28-22)9-10-21(31)27-23-18-6-2-3-7-19(18)34-24(23)25(32)30-14-12-29(13-15-30)20-8-4-5-11-26-20/h2-8,11,16H,9-10,12-15H2,1H3,(H,27,31)
InChIKeyAZQHSPCPIQPYQF-UHFFFAOYSA-N
XLogP3.36
TPSA113.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-methylphenoxy)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511005
2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925870
2-(3,4-dimethoxyphenyl)-N-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511090
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
(5-ethoxy-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 18104764
2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 22510987
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925724
(7-chloro-3-methyl-1-benzofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51143726
3-cyclopropyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]propanamide
CID 71931115
3-(3-methoxy-1,2-oxazol-5-yl)-N-(3-methyl-1-pyrimidin-2-ylpyrrolidin-3-yl)propanamide
CID 155961614

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide?
The IUPAC name of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide (CID 22511004) is 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide.
What is the SMILES notation for 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide?
The canonical SMILES for 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide is COc1cc(CCC(=O)Nc2c(C(=O)N3CCN(c4ccccn4)CC3)oc3ccccc23)on1.
What is the InChIKey of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide?
The InChIKey is AZQHSPCPIQPYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-33-22-16-17(35-28-22)9-10-21(31)27-23-18-6-2-3-7-19(18)34-24(23)25(32)30-14-12-29(13-15-30)20-8-4-5-11-26-20/h2-8,11,16H,9-10,12-15H2,1H3,(H,27,31).
What are the key properties of 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide?
3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide has a molecular weight of 475.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]propanamide is sourced from PubChem (CID 22511004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).