5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole

C13H11BrN2O — CID 116619491

IUPAC5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2ccc3cc(Br)ccc32)on1
InChIInChI=1S/C13H11BrN2O/c1-9-6-12(17-15-9)8-16-5-4-10-7-11(14)2-3-13(10)16/h2-7H,8H2,1H3
InChIKeyQLRBEHNLTVKBNY-UHFFFAOYSA-N
MW291.15 g/mol
LogP3.75
Rot. Bonds2

About 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole

5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole (PubChem CID 116619491) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
PubChem CID116619491
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2ccc3cc(Br)ccc32)on1
InChIInChI=1S/C13H11BrN2O/c1-9-6-12(17-15-9)8-16-5-4-10-7-11(14)2-3-13(10)16/h2-7H,8H2,1H3
InChIKeyQLRBEHNLTVKBNY-UHFFFAOYSA-N
XLogP3.75
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid
CID 63749669
5-bromo-1-[(2,4,6-trimethylphenyl)methyl]indole
CID 116619570
2-[(5-bromoindol-1-yl)methyl]-3,5-dimethylpyridin-4-amine
CID 103182727
5-bromo-1-[(4-ethylphenyl)methyl]indole
CID 116619733
methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
CID 150206903
5-[(5-bromoindol-1-yl)methyl]-1,3-thiazole
CID 116619558
5-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 65346238
5-[(5-bromoindol-1-yl)methyl]furan-3-carboxylic acid
CID 62269393
5-bromo-1-[(3,5-difluorophenyl)methyl]indole
CID 105409253
5-bromo-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116619644
5-[(5-bromoindol-1-yl)methyl]furan-2-carbohydrazide
CID 63577405
5-bromo-1-[(3-methoxyphenyl)methyl]indole
CID 116619594

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole (CID 116619491) is 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole is Cc1cc(Cn2ccc3cc(Br)ccc32)on1.
What is the InChIKey of 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole?
The InChIKey is QLRBEHNLTVKBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-6-12(17-15-9)8-16-5-4-10-7-11(14)2-3-13(10)16/h2-7H,8H2,1H3.
What are the key properties of 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole?
5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole has a molecular weight of 291.15 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 116619491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).