2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid

C15H10BrNO3 — CID 115354447

IUPAC2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccc3cc(Br)ccc3c2)nc1C(=O)O
InChIInChI=1S/C15H10BrNO3/c1-8-13(15(18)19)17-14(20-8)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-7H,1H3,(H,18,19)
InChIKeyIYYRBECBTGVNSA-UHFFFAOYSA-N
MW332.15 g/mol
LogP4.26
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid

2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (PubChem CID 115354447) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
PubChem CID115354447
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(-c2ccc3cc(Br)ccc3c2)nc1C(=O)O
InChIInChI=1S/C15H10BrNO3/c1-8-13(15(18)19)17-14(20-8)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-7H,1H3,(H,18,19)
InChIKeyIYYRBECBTGVNSA-UHFFFAOYSA-N
XLogP4.26
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid 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

2-(3,5-dibromophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 107974660
2-(5-bromo-2-methylphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 65309309
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
5-methyl-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-oxazole-4-carboxylic acid
CID 98018990
5-methyl-2-(3-methyl-4-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 98019003
2-(4-butoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233003
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 114560903
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
methyl 5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 115960711
2-bromo-5-methyl-1,3-oxazole-4-carboxylic acid
CID 58881989
2-bromo-1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86674821

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid (CID 115354447) is 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is Cc1oc(-c2ccc3cc(Br)ccc3c2)nc1C(=O)O.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is IYYRBECBTGVNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-8-13(15(18)19)17-14(20-8)11-3-2-10-7-12(16)5-4-9(10)6-11/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid?
2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 332.15 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-5-methyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115354447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).