N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide

C12H9N5O2 — CID 3606271

IUPACN-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccco1
InChIInChI=1S/C12H9N5O2/c18-12(10-2-1-7-19-10)13-9-5-3-8(4-6-9)11-14-16-17-15-11/h1-7H,(H,13,18)(H,14,15,16,17)
InChIKeyRYOAWDFSWSEDRC-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.71
Rot. Bonds3

About N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide

N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide (PubChem CID 3606271) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
PubChem CID3606271
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC NameN-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccco1
InChIInChI=1S/C12H9N5O2/c18-12(10-2-1-7-19-10)13-9-5-3-8(4-6-9)11-14-16-17-15-11/h1-7H,(H,13,18)(H,14,15,16,17)
InChIKeyRYOAWDFSWSEDRC-UHFFFAOYSA-N
XLogP1.71
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720193
N-[5-[[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 167909853
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
5-(4-chlorophenyl)sulfanyl-N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide
CID 167835542
N-[4-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
CID 960347
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
2-(4-hydroxyphenyl)-N-[2-oxo-2-[4-(2H-tetrazol-5-yl)anilino]ethyl]acetamide
CID 166206540

Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide (CID 3606271) is N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccco1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
The InChIKey is RYOAWDFSWSEDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-12(10-2-1-7-19-10)13-9-5-3-8(4-6-9)11-14-16-17-15-11/h1-7H,(H,13,18)(H,14,15,16,17).
What are the key properties of N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide?
N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3606271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).