2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid

C15H11NO4 — CID 82305472

IUPAC2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H11NO4/c17-15(18)13-8-20-14(16-13)9-19-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9H2,(H,17,18)
InChIKeyOXBLJKMYHWTNBR-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.11
Rot. Bonds4

About 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid

2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 82305472) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID82305472
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C15H11NO4/c17-15(18)13-8-20-14(16-13)9-19-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9H2,(H,17,18)
InChIKeyOXBLJKMYHWTNBR-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

2-[(4-ethoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 95469386
2-[(4-sulfamoylphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 167809217
azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56700894
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56714469
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
CID 82128961
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 95230039
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95219193

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid (CID 82305472) is 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(COc2ccc3ccccc3c2)n1.
What is the InChIKey of 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is OXBLJKMYHWTNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-15(18)13-8-20-14(16-13)9-19-12-6-5-10-3-1-2-4-11(10)7-12/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid?
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-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 2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82305472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).