2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide

C17H13N5O3 — CID 146022743

IUPAC2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H13N5O3/c23-16(9-15-13-6-1-2-7-14(13)17(24)25-15)19-11-4-3-5-12(8-11)22-10-18-20-21-22/h1-8,10,15H,9H2,(H,19,23)
InChIKeyMUVTYDKNNRWSJR-UHFFFAOYSA-N
MW335.32 g/mol
LogP1.90
Rot. Bonds4

About 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide

2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 146022743) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
PubChem CID146022743
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H13N5O3/c23-16(9-15-13-6-1-2-7-14(13)17(24)25-15)19-11-4-3-5-12(8-11)22-10-18-20-21-22/h1-8,10,15H,9H2,(H,19,23)
InChIKeyMUVTYDKNNRWSJR-UHFFFAOYSA-N
XLogP1.90
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 94835011
2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 97016881
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
2-(2,6-dichlorophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7692890
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
2-(4-acetamidophenyl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 33001295
2-propan-2-yloxy-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 47418203
2-(3-oxo-1H-2-benzofuran-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 42891278
2-(2-chlorophenoxy)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8753073
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549176
3-(4-ethylphenyl)-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 31891602

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide (CID 146022743) is 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide is O=C(CC1OC(=O)c2ccccc21)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is MUVTYDKNNRWSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-16(9-15-13-6-1-2-7-14(13)17(24)25-15)19-11-4-3-5-12(8-11)22-10-18-20-21-22/h1-8,10,15H,9H2,(H,19,23).
What are the key properties of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide?
2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 335.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 146022743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).