N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide

C12H9N5O2 — CID 649855

IUPACN-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccco1
InChIInChI=1S/C12H9N5O2/c18-12(11-5-2-6-19-11)14-9-3-1-4-10(7-9)17-8-13-15-16-17/h1-8H,(H,14,18)
InChIKeyXNPWPUCDTRSVBL-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.51
Rot. Bonds3

About N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide

N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide (PubChem CID 649855) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
PubChem CID649855
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1ccco1
InChIInChI=1S/C12H9N5O2/c18-12(11-5-2-6-19-11)14-9-3-1-4-10(7-9)17-8-13-15-16-17/h1-8H,(H,14,18)
InChIKeyXNPWPUCDTRSVBL-UHFFFAOYSA-N
XLogP1.51
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Furan-2-carboxylic acid {3-[2-(1-cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 646208
Furan-2-carboxylic acid {3-[2-(1-cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 654638
N-Furan-2-ylmethyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 673910
N-(5-amino-1-phenyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 703016
N~3~-(2-furylmethyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 884997
N-(furan-2-ylmethylcarbamoyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 2621198
N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 7709970
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]furan-2-carboxamide
CID 16342798
N-[3-(5-{[(Furan-2-ylmethyl)-carbamoyl]-methylsulfanyl}-tetrazol-1-yl)-phenyl]-propionamide
CID 648605
Furan-2-carboxylic acid (3-methyl-4-tetrazol-1-yl-phenyl)-amide
CID 858850
Furan-2-carboxylic acid {3-[2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-amide
CID 1454952
Furan-2-carboxylic acid (3-{2-[1-(4-acetylamino-phenyl)-1H-tetrazol-5-ylsulfanyl]-acetylamino}-phenyl)-amide
CID 3213524

Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide (CID 649855) is N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1ccco1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is XNPWPUCDTRSVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-12(11-5-2-6-19-11)14-9-3-1-4-10(7-9)17-8-13-15-16-17/h1-8H,(H,14,18).
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide?
N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 649855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).