methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate

C14H11BrN2O3 — CID 150206903

IUPACmethyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(Cn2ccc3ccc(Br)cc32)on1
InChIInChI=1S/C14H11BrN2O3/c1-19-14(18)12-7-11(20-16-12)8-17-5-4-9-2-3-10(15)6-13(9)17/h2-7H,8H2,1H3
InChIKeyFQRDYNRUEZLZRY-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.23
Rot. Bonds3

About methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate

methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate (PubChem CID 150206903) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
PubChem CID150206903
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Namemethyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(Cn2ccc3ccc(Br)cc32)on1
InChIInChI=1S/C14H11BrN2O3/c1-19-14(18)12-7-11(20-16-12)8-17-5-4-9-2-3-10(15)6-13(9)17/h2-7H,8H2,1H3
InChIKeyFQRDYNRUEZLZRY-UHFFFAOYSA-N
XLogP3.23
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-bromoindol-1-yl)methyl]-3-methyl-1,2-oxazole
CID 116619491
1-[(3-methyl-1,2-oxazol-5-yl)methyl]indole-6-carboxylic acid
CID 63749669
1-(6-bromoindol-1-yl)-3-methoxypropan-2-one
CID 107507742
6-bromo-1-(furan-2-ylmethyl)indole
CID 116622096
methyl 5-(methoxymethyl)-1,2-oxazole-3-carboxylate
CID 13371025
6-[(6-bromoindol-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909478
2-[(6-bromoindol-1-yl)methyl]benzoic acid
CID 62047229
3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116621916
1-(6-bromoindol-1-yl)butan-2-one
CID 62039344
2-(6-bromoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 116621827
3-(6-bromoindol-1-yl)-N-ethylpropanamide
CID 116621862
4-[(6-bromoindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 62047233

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate (CID 150206903) is methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(Cn2ccc3ccc(Br)cc32)on1.
What is the InChIKey of methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate?
The InChIKey is FQRDYNRUEZLZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-19-14(18)12-7-11(20-16-12)8-17-5-4-9-2-3-10(15)6-13(9)17/h2-7H,8H2,1H3.
What are the key properties of methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate?
methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate has a molecular weight of 335.16 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(6-bromoindol-1-yl)methyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 150206903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).