N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide

C23H23N3O6S — CID 58496308

IUPACN-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCC3)co2)c2c1oc1ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C23H23N3O6S/c1-30-19-10-8-15(23-25-17(12-31-23)22(27)24-13-5-3-4-6-13)20-16-11-14(26-33(2,28)29)7-9-18(16)32-21(19)20/h7-13,26H,3-6H2,1-2H3,(H,24,27)
InChIKeyHWVVYOCNYLXLFH-UHFFFAOYSA-N
MW469.52 g/mol
LogP4.29
Rot. Bonds6

About N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide

N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide (PubChem CID 58496308) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide
PubChem CID58496308
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC NameN-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCCC3)co2)c2c1oc1ccc(NS(C)(=O)=O)cc12
InChIInChI=1S/C23H23N3O6S/c1-30-19-10-8-15(23-25-17(12-31-23)22(27)24-13-5-3-4-6-13)20-16-11-14(26-33(2,28)29)7-9-18(16)32-21(19)20/h7-13,26H,3-6H2,1-2H3,(H,24,27)
InChIKeyHWVVYOCNYLXLFH-UHFFFAOYSA-N
XLogP4.29
TPSA123.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide (CID 58496308) is N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CCCC3)co2)c2c1oc1ccc(NS(C)(=O)=O)cc12.
What is the InChIKey of N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is HWVVYOCNYLXLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-30-19-10-8-15(23-25-17(12-31-23)22(27)24-13-5-3-4-6-13)20-16-11-14(26-33(2,28)29)7-9-18(16)32-21(19)20/h7-13,26H,3-6H2,1-2H3,(H,24,27).
What are the key properties of N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide?
N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[8-(methanesulfonamido)-4-methoxydibenzofuran-1-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58496308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).