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

C15H11NO4 — CID 70701453

IUPAC5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
SMILESCOc1oc(-c2cccc3ccccc23)nc1C(=O)O
InChIInChI=1S/C15H11NO4/c1-19-15-12(14(17)18)16-13(20-15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,17,18)
InChIKeyCZMBRUFQKBDPCK-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.20
Rot. Bonds3

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

5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid (PubChem CID 70701453) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
PubChem CID70701453
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
SMILESCOc1oc(-c2cccc3ccccc23)nc1C(=O)O
InChIInChI=1S/C15H11NO4/c1-19-15-12(14(17)18)16-13(20-15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,17,18)
InChIKeyCZMBRUFQKBDPCK-UHFFFAOYSA-N
XLogP3.20
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-naphthalen-1-yl-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

5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
CID 62885349
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
2-amino-6-methoxybenzoic acid;5-methoxy-2-naphthalen-1-yl-3,1-benzoxazin-4-one
CID 160663275
4-naphthalen-1-yl-1,2-oxazole-3-carboxylic acid
CID 154791566
5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid
CID 121234464
4-[(4-methoxyphenyl)iminomethyl]-2-naphthalen-1-yl-1,3-oxazol-5-ol
CID 5210378
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
4-bromo-1-methyl-5-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 116858289
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
1-(4-methoxyphenyl)-5-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pent-3-yn-1-one
CID 7354098

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid (CID 70701453) is 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid is COc1oc(-c2cccc3ccccc23)nc1C(=O)O.
What is the InChIKey of 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
The InChIKey is CZMBRUFQKBDPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-15-12(14(17)18)16-13(20-15)11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,17,18).
What are the key properties of 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid?
5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 70701453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).