N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide

C22H16N2O5S — CID 143954345

IUPACN-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide
SMILESCC(=O)c1c(-c2cc3cccc(O)c3o2)csc1NC(=O)C1Nc2ccccc2O1
InChIInChI=1S/C22H16N2O5S/c1-11(25)18-13(17-9-12-5-4-7-15(26)19(12)28-17)10-30-22(18)24-20(27)21-23-14-6-2-3-8-16(14)29-21/h2-10,21,23,26H,1H3,(H,24,27)
InChIKeyRUHZZIBFIQFHQS-UHFFFAOYSA-N
MW420.45 g/mol
LogP4.84
Rot. Bonds4

About N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide

N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide (PubChem CID 143954345) has the molecular formula C22H16N2O5S and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide
PubChem CID143954345
Molecular FormulaC22H16N2O5S
Molecular Weight420.45 g/mol
Exact Mass420.08
IUPAC NameN-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide
SMILESCC(=O)c1c(-c2cc3cccc(O)c3o2)csc1NC(=O)C1Nc2ccccc2O1
InChIInChI=1S/C22H16N2O5S/c1-11(25)18-13(17-9-12-5-4-7-15(26)19(12)28-17)10-30-22(18)24-20(27)21-23-14-6-2-3-8-16(14)29-21/h2-10,21,23,26H,1H3,(H,24,27)
InChIKeyRUHZZIBFIQFHQS-UHFFFAOYSA-N
XLogP4.84
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide?
The IUPAC name of N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide (CID 143954345) is N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide.
What is the SMILES notation for N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide?
The canonical SMILES for N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide is CC(=O)c1c(-c2cc3cccc(O)c3o2)csc1NC(=O)C1Nc2ccccc2O1.
What is the InChIKey of N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide?
The InChIKey is RUHZZIBFIQFHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O5S/c1-11(25)18-13(17-9-12-5-4-7-15(26)19(12)28-17)10-30-22(18)24-20(27)21-23-14-6-2-3-8-16(14)29-21/h2-10,21,23,26H,1H3,(H,24,27).
What are the key properties of N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide?
N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 4.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetyl-4-(7-hydroxy-1-benzofuran-2-yl)thiophen-2-yl]-2,3-dihydro-1,3-benzoxazole-2-carboxamide is sourced from PubChem (CID 143954345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).