4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid

C15H11NO3 — CID 82362316

IUPAC4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2ccc3ccccc3c2)noc1C(=O)O
InChIInChI=1S/C15H11NO3/c1-9-13(16-19-14(9)15(17)18)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,17,18)
InChIKeyZBHHFQBKNLKABI-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.50
Rot. Bonds2

About 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid

4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 82362316) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
PubChem CID82362316
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
SMILESCc1c(-c2ccc3ccccc3c2)noc1C(=O)O
InChIInChI=1S/C15H11NO3/c1-9-13(16-19-14(9)15(17)18)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,17,18)
InChIKeyZBHHFQBKNLKABI-UHFFFAOYSA-N
XLogP3.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid
CID 62745589
1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 43324436
3-(2,4-dichlorophenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362315
ethyl (E)-3-hydroxy-2-(2-methyl-4-naphthalen-2-yl-1,3-oxazol-5-yl)but-2-enoate
CID 177400306
2-tert-butyl-4-naphthalen-2-yl-1,3-thiazole-5-carboxylic acid
CID 69475453
5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696152
naphthalene-2-carboxylic acid
CID 175967775
anthracene;4-methylbenzoic acid
CID 175030135
4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 84700371
3-anthracen-2-yl-1,2-benzoxazole
CID 153493009
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid (CID 82362316) is 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid is Cc1c(-c2ccc3ccccc3c2)noc1C(=O)O.
What is the InChIKey of 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZBHHFQBKNLKABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-13(16-19-14(9)15(17)18)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,17,18).
What are the key properties of 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid?
4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 82362316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).