N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide

C15H9BrN6O2 — CID 67551375

IUPACN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1-c1nn[nH]n1)c1noc2ccccc12
InChIInChI=1S/C15H9BrN6O2/c16-8-5-6-11(10(7-8)14-18-21-22-19-14)17-15(23)13-9-3-1-2-4-12(9)24-20-13/h1-7H,(H,17,23)(H,18,19,21,22)
InChIKeyNOQIERLBJCEGEA-UHFFFAOYSA-N
MW385.18 g/mol
LogP3.02
Rot. Bonds3

About N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide

N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide (PubChem CID 67551375) has the molecular formula C15H9BrN6O2 and a molecular weight of 385.18 g/mol. Its IUPAC name is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide
PubChem CID67551375
Molecular FormulaC15H9BrN6O2
Molecular Weight385.18 g/mol
Exact Mass384.00
IUPAC NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1-c1nn[nH]n1)c1noc2ccccc12
InChIInChI=1S/C15H9BrN6O2/c16-8-5-6-11(10(7-8)14-18-21-22-19-14)17-15(23)13-9-3-1-2-4-12(9)24-20-13/h1-7H,(H,17,23)(H,18,19,21,22)
InChIKeyNOQIERLBJCEGEA-UHFFFAOYSA-N
XLogP3.02
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetamido-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide
CID 67551917
6-(benzenesulfonamido)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide
CID 67551937
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-5-(diethylsulfamoyl)-1,2-benzoxazole-3-carboxamide
CID 67551649
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67552245
7-amino-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
CID 67551838
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]cyclopentanecarboxamide
CID 126830344
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1-methyl-7-phenylindole-2-carboxamide
CID 67552441
(E)-N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-naphthalen-2-ylprop-2-enamide
CID 25064125
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
CID 67552383
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-7-[[2-(4-chlorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 67552598
N-methyl-1,2-benzoxazole-3-carboxamide
CID 10419698
N-(1,2-oxazol-3-yl)-1,2-benzoxazole-3-carboxamide
CID 140532901

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide (CID 67551375) is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide is O=C(Nc1ccc(Br)cc1-c1nn[nH]n1)c1noc2ccccc12.
What is the InChIKey of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide?
The InChIKey is NOQIERLBJCEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN6O2/c16-8-5-6-11(10(7-8)14-18-21-22-19-14)17-15(23)13-9-3-1-2-4-12(9)24-20-13/h1-7H,(H,17,23)(H,18,19,21,22).
What are the key properties of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide?
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide has a molecular weight of 385.18 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 67551375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).