1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid

C15H11NO4 — CID 61223878

IUPAC1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1OCc1cnoc1
InChIInChI=1S/C15H11NO4/c17-15(18)13-6-5-11-3-1-2-4-12(11)14(13)19-8-10-7-16-20-9-10/h1-7,9H,8H2,(H,17,18)
InChIKeyKLCYWHSZPUBEAN-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds4

About 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid

1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid (PubChem CID 61223878) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
PubChem CID61223878
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1OCc1cnoc1
InChIInChI=1S/C15H11NO4/c17-15(18)13-6-5-11-3-1-2-4-12(11)14(13)19-8-10-7-16-20-9-10/h1-7,9H,8H2,(H,17,18)
InChIKeyKLCYWHSZPUBEAN-UHFFFAOYSA-N
XLogP3.11
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[1-(1,2-oxazol-4-ylmethoxy)naphthalen-2-yl]ethanol
CID 78934316
4-chloro-2-(1,2-oxazol-4-ylmethoxy)benzoic acid
CID 61223691
1-[(3-methyl-1,2-oxazol-5-yl)methoxy]naphthalene-2-carboxylic acid
CID 60682901
1-(6-hydroxyhexoxy)naphthalene-2-carboxylic acid
CID 107702048
1-(2-hydroxy-2-methylpropoxy)naphthalene-2-carboxylic acid
CID 61379131
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 60870347
1-(3,3,3-trifluoropropoxy)naphthalene-2-carboxylic acid
CID 62034235
1-(3,3-dimethylbutoxy)naphthalene-2-carboxylic acid
CID 63464162
1-pyridin-2-yloxynaphthalene-2-carboxylic acid
CID 61396185
1-(2-methylsulfonylethoxy)naphthalene-2-carboxylic acid
CID 60693277
1-(2-methoxyethoxymethoxy)naphthalene-2-carboxylic acid
CID 68977043

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid (CID 61223878) is 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1OCc1cnoc1.
What is the InChIKey of 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid?
The InChIKey is KLCYWHSZPUBEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-15(18)13-6-5-11-3-1-2-4-12(11)14(13)19-8-10-7-16-20-9-10/h1-7,9H,8H2,(H,17,18).
What are the key properties of 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid?
1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 61223878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).