2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide

C17H16N6O2 — CID 51106625

IUPAC2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3cc4ccccc4o3)n2)CCCC1
InChIInChI=1S/C17H16N6O2/c18-11-17(7-3-4-8-17)19-15(24)10-23-21-16(20-22-23)14-9-12-5-1-2-6-13(12)25-14/h1-2,5-6,9H,3-4,7-8,10H2,(H,19,24)
InChIKeySWTAYJLBTYIBLN-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.04
Rot. Bonds4

About 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide

2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 51106625) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
PubChem CID51106625
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cn2nnc(-c3cc4ccccc4o3)n2)CCCC1
InChIInChI=1S/C17H16N6O2/c18-11-17(7-3-4-8-17)19-15(24)10-23-21-16(20-22-23)14-9-12-5-1-2-6-13(12)25-14/h1-2,5-6,9H,3-4,7-8,10H2,(H,19,24)
InChIKeySWTAYJLBTYIBLN-UHFFFAOYSA-N
XLogP2.04
TPSA109.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Cyclopentyl-2-((2-diethylamino-ethyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-(4-fluoro-phenyl)-acetamide
CID 3174706
2-[5-(1-Benzofuran-2-yl)tetrazol-2-yl]-1-morpholin-4-ylethanone
CID 51106626
3-[5-(1-Benzofuran-2-yl)tetrazol-2-yl]propanamide
CID 53548250
2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(3-methoxypropyl)acetamide
CID 53565160
2-[5-(1-benzofuran-2-yl)-2H-1,2,3,4-tetrazol-2-yl]-N-(1-cyano-1,2-dimethylpropyl)acetamide
CID 53582167
2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-methylacetamide
CID 53582780
2-[benzyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpentanamide
CID 3179993
5-(1-Benzofuran-2-yl)-2-(oxan-2-ylmethyl)tetrazole
CID 71880558
(2S)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 1142631
(2R)-N-cyclopentyl-2-[cyclopentyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-2-(4-fluorophenyl)acetamide
CID 1142634
(2S)-2-[cyclohexyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 1142636
(2R)-2-[cyclohexyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-fluorophenyl)acetamide
CID 1142639

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide (CID 51106625) is 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)Cn2nnc(-c3cc4ccccc4o3)n2)CCCC1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is SWTAYJLBTYIBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-11-17(7-3-4-8-17)19-15(24)10-23-21-16(20-22-23)14-9-12-5-1-2-6-13(12)25-14/h1-2,5-6,9H,3-4,7-8,10H2,(H,19,24).
What are the key properties of 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide?
2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)tetrazol-2-yl]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 51106625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).