4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

C20H21N3O5S — CID 175480279

About 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide

4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 175480279) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• PubChem CID: 175480279
• Molecular Formula: C20H21N3O5S
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.12
• IUPAC Name: 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide
• SMILES: Cc1ncsc1COc1ccc2oc(C)c(C(N)=O)c2c1C1(C(N)=O)CCOC1
• InChI: InChI=1S/C20H21N3O5S/c1-10-14(29-9-23-10)7-27-13-4-3-12-16(15(18(21)24)11(2)28-12)17(13)20(19(22)25)5-6-26-8-20/h3-4,9H,5-8H2,1-2H3,(H2,21,24)(H2,22,25)
• InChIKey: XVBZICVROZKZSV-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 130.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The IUPAC name of 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide (CID 175480279) is 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The canonical SMILES for 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1ncsc1COc1ccc2oc(C)c(C(N)=O)c2c1C1(C(N)=O)CCOC1.

What is the InChIKey of 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

The InChIKey is XVBZICVROZKZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-10-14(29-9-23-10)7-27-13-4-3-12-16(15(18(21)24)11(2)28-12)17(13)20(19(22)25)5-6-26-8-20/h3-4,9H,5-8H2,1-2H3,(H2,21,24)(H2,22,25).

What are the key properties of 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide?

4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-carbamoyloxolan-3-yl)-2-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 175480279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).