N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide

C22H18BrN7O2 — CID 67552383

IUPACN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)n(C)c2c1
InChIInChI=1S/C22H18BrN7O2/c1-11-20(12(2)32-27-11)14-5-4-13-8-19(30(3)18(13)9-14)22(31)24-17-7-6-15(23)10-16(17)21-25-28-29-26-21/h4-10H,1-3H3,(H,24,31)(H,25,26,28,29)
InChIKeyBHTZBSZKEGQVSF-UHFFFAOYSA-N
MW492.34 g/mol
LogP4.65
Rot. Bonds4

About N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide

N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide (PubChem CID 67552383) has the molecular formula C22H18BrN7O2 and a molecular weight of 492.34 g/mol. Its IUPAC name is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
PubChem CID67552383
Molecular FormulaC22H18BrN7O2
Molecular Weight492.34 g/mol
Exact Mass491.07
IUPAC NameN-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
SMILESCc1noc(C)c1-c1ccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)n(C)c2c1
InChIInChI=1S/C22H18BrN7O2/c1-11-20(12(2)32-27-11)14-5-4-13-8-19(30(3)18(13)9-14)22(31)24-17-7-6-15(23)10-16(17)21-25-28-29-26-21/h4-10H,1-3H3,(H,24,31)(H,25,26,28,29)
InChIKeyBHTZBSZKEGQVSF-UHFFFAOYSA-N
XLogP4.65
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.34
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
The IUPAC name of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide (CID 67552383) is N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
The canonical SMILES for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide is Cc1noc(C)c1-c1ccc2cc(C(=O)Nc3ccc(Br)cc3-c3nn[nH]n3)n(C)c2c1.
What is the InChIKey of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
The InChIKey is BHTZBSZKEGQVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN7O2/c1-11-20(12(2)32-27-11)14-5-4-13-8-19(30(3)18(13)9-14)22(31)24-17-7-6-15(23)10-16(17)21-25-28-29-26-21/h4-10H,1-3H3,(H,24,31)(H,25,26,28,29).
What are the key properties of N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide?
N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide has a molecular weight of 492.34 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 67552383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).