5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

C15H11NO4 — CID 176969039

IUPAC5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(-c2cc(C(=O)O)no2)ccc2ccccc12
InChIInChI=1S/C15H11NO4/c1-19-14-10-5-3-2-4-9(10)6-7-11(14)13-8-12(15(17)18)16-20-13/h2-8H,1H3,(H,17,18)
InChIKeyZRRVNJDVACLQDG-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.20
Rot. Bonds3

About 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid

5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 176969039) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID176969039
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(-c2cc(C(=O)O)no2)ccc2ccccc12
InChIInChI=1S/C15H11NO4/c1-19-14-10-5-3-2-4-9(10)6-7-11(14)13-8-12(15(17)18)16-20-13/h2-8H,1H3,(H,17,18)
InChIKeyZRRVNJDVACLQDG-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

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Related Compounds

N-methoxy-5-(1-methoxynaphthalen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 176969044
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(7-methoxy-1-benzothiophen-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117439956
5-[2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117337528
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
5-(2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 16792916
5-(7-methoxy-1-methylindol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117433252
5-(4-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117345967
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467926
5-(5-bromo-2-methoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496634

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 176969039) is 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is COc1c(-c2cc(C(=O)O)no2)ccc2ccccc12.
What is the InChIKey of 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZRRVNJDVACLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-14-10-5-3-2-4-9(10)6-7-11(14)13-8-12(15(17)18)16-20-13/h2-8H,1H3,(H,17,18).
What are the key properties of 5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-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-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 176969039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).