N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide

C14H15N5O2 — CID 97184162

IUPACN-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1cc2ccccc2o1)c1nn[nH]n1
InChIInChI=1S/C14H15N5O2/c1-2-5-10(13-16-18-19-17-13)15-14(20)12-8-9-6-3-4-7-11(9)21-12/h3-4,6-8,10H,2,5H2,1H3,(H,15,20)(H,16,17,18,19)/t10-/m1/s1
InChIKeyIFNIREIELAEBKZ-SNVBAGLBSA-N
MW285.31 g/mol
LogP2.22
Rot. Bonds5

About N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide

N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide (PubChem CID 97184162) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
PubChem CID97184162
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide
SMILESCCC[C@@H](NC(=O)c1cc2ccccc2o1)c1nn[nH]n1
InChIInChI=1S/C14H15N5O2/c1-2-5-10(13-16-18-19-17-13)15-14(20)12-8-9-6-3-4-7-11(9)21-12/h3-4,6-8,10H,2,5H2,1H3,(H,15,20)(H,16,17,18,19)/t10-/m1/s1
InChIKeyIFNIREIELAEBKZ-SNVBAGLBSA-N
XLogP2.22
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
CID 76779904
N-[(1S)-1-(2H-tetrazol-5-yl)butyl]-2H-chromene-3-carboxamide
CID 99775615
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
2-chloro-N-[(1S)-1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 99814772
2-chloro-6-methyl-N-[1-(2H-tetrazol-5-yl)butyl]pyridine-4-carboxamide
CID 102562004
N-(1-bromopentan-3-yl)-1-benzofuran-2-carboxamide
CID 113496418
N-[1-(3,4-dimethylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 132650331
3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
CID 120611610
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-1-benzofuran-2-carboxamide
CID 9049628

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide (CID 97184162) is N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide is CCC[C@@H](NC(=O)c1cc2ccccc2o1)c1nn[nH]n1.
What is the InChIKey of N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide?
The InChIKey is IFNIREIELAEBKZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-2-5-10(13-16-18-19-17-13)15-14(20)12-8-9-6-3-4-7-11(9)21-12/h3-4,6-8,10H,2,5H2,1H3,(H,15,20)(H,16,17,18,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide?
N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2H-tetrazol-5-yl)butyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97184162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).