5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide

C26H25N3O5 — CID 46271206

IUPAC5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C(=O)N4CCC(C)CC4)oc4ccccc34)no2)cc1
InChIInChI=1S/C26H25N3O5/c1-16-11-13-29(14-12-16)26(31)24-23(19-5-3-4-6-21(19)33-24)27-25(30)20-15-22(34-28-20)17-7-9-18(32-2)10-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,30)
InChIKeyDMRPOEYECGWDIP-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.22
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide

5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 46271206) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID46271206
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3c(C(=O)N4CCC(C)CC4)oc4ccccc34)no2)cc1
InChIInChI=1S/C26H25N3O5/c1-16-11-13-29(14-12-16)26(31)24-23(19-5-3-4-6-21(19)33-24)27-25(30)20-15-22(34-28-20)17-7-9-18(32-2)10-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,30)
InChIKeyDMRPOEYECGWDIP-UHFFFAOYSA-N
XLogP5.22
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448027
5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
CID 17010949
N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 22510952
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 35339570
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
[5-(4-methylphenyl)-1,2-oxazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 1093778

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide (CID 46271206) is 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3c(C(=O)N4CCC(C)CC4)oc4ccccc34)no2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is DMRPOEYECGWDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-16-11-13-29(14-12-16)26(31)24-23(19-5-3-4-6-21(19)33-24)27-25(30)20-15-22(34-28-20)17-7-9-18(32-2)10-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,30).
What are the key properties of 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide?
5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46271206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).