4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole

C14H13BrN2O — CID 158347173

IUPAC4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCC1=Nc2c(Br)cc(-c3c(C)noc3C)cc2C1
InChIInChI=1S/C14H13BrN2O/c1-7-4-11-5-10(6-12(15)14(11)16-7)13-8(2)17-18-9(13)3/h5-6H,4H2,1-3H3
InChIKeyGTQIUKXAWKRZPH-UHFFFAOYSA-N
MW305.18 g/mol
LogP4.37
Rot. Bonds1

About 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole

4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 158347173) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID158347173
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCC1=Nc2c(Br)cc(-c3c(C)noc3C)cc2C1
InChIInChI=1S/C14H13BrN2O/c1-7-4-11-5-10(6-12(15)14(11)16-7)13-8(2)17-18-9(13)3/h5-6H,4H2,1-3H3
InChIKeyGTQIUKXAWKRZPH-UHFFFAOYSA-N
XLogP4.37
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methyl-2,4-dihydro-1H-isoquinolin-3-one
CID 158568266
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
2-bromo-4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-6-nitroaniline
CID 121355017
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzene-1,2-diol
CID 138961435
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenol
CID 53218794
6-(3,5-dimethyl-1,2-oxazol-4-yl)-3,4-dihydro-1H-quinazolin-2-one
CID 144546360
4-(5-bromo-3-pyridinyl)-3,5-dimethyl-1,2-oxazole;3,5-dibromopyridine
CID 160862172
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzaldehyde
CID 51063711
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methyl-3-phenyl-1H-inden-2-one
CID 148832001
4-(3-chloro-4-ethylphenyl)-3,5-dimethyl-1,2-oxazole
CID 143541732

Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole (CID 158347173) is 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole is CC1=Nc2c(Br)cc(-c3c(C)noc3C)cc2C1.
What is the InChIKey of 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is GTQIUKXAWKRZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-7-4-11-5-10(6-12(15)14(11)16-7)13-8(2)17-18-9(13)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole?
4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 305.18 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-2-methyl-3H-indol-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158347173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).