6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide

C14H14BrN3O2 — CID 126828889

IUPAC6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H14BrN3O2/c1-8-13(9(2)20-17-8)16-14(19)18-6-5-10-3-4-11(15)7-12(10)18/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyAIUDGEUOCFVVNY-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.65
Rot. Bonds1

About 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide

6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide (PubChem CID 126828889) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide
PubChem CID126828889
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCc2ccc(Br)cc21
InChIInChI=1S/C14H14BrN3O2/c1-8-13(9(2)20-17-8)16-14(19)18-6-5-10-3-4-11(15)7-12(10)18/h3-4,7H,5-6H2,1-2H3,(H,16,19)
InChIKeyAIUDGEUOCFVVNY-UHFFFAOYSA-N
XLogP3.65
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 49110742
(6-Bromo-2,3-dihydroindol-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 60300540
N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 126834852
2-(2,4-difluorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 137994132
1-[(4-Bromophenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 56782640
3-[5-(4-bromo-phenyl)-3-methyl-isoxazol-4-yl]-1-methyl-1-((R)-1-phenyl-ethyl)-urea
CID 66578181
3-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-1-isopropyl-1-methyl-urea
CID 66578210
3-[5-(4-Bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-methyl-1-(1-phenylethyl)urea
CID 77147395
1-[5-(4-Bromophenyl)-3-methyl-1,2-oxazol-4-yl]-3-methylurea
CID 144165201
3-[5-(4-Bromophenyl)-3-methyl-1,2-oxazol-4-yl]-1-cyclopentyl-1-methylurea
CID 155009689
5-(4-Bromophenyl)-5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 18100015
4-Bromo-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indole-2,3-dione
CID 28782742

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide (CID 126828889) is 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide is Cc1noc(C)c1NC(=O)N1CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is AIUDGEUOCFVVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-13(9(2)20-17-8)16-14(19)18-6-5-10-3-4-11(15)7-12(10)18/h3-4,7H,5-6H2,1-2H3,(H,16,19).
What are the key properties of 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide?
6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 126828889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).