5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid

C25H19N5O5 — CID 11525657

IUPAC5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(Cn1cc(COc2ccc(-c3cc(C(=O)O)no3)cc2)nn1)Nc1cccc2ccccc12
InChIInChI=1S/C25H19N5O5/c31-24(26-21-7-3-5-16-4-1-2-6-20(16)21)14-30-13-18(27-29-30)15-34-19-10-8-17(9-11-19)23-12-22(25(32)33)28-35-23/h1-13H,14-15H2,(H,26,31)(H,32,33)
InChIKeyHWMMGVGYHWISNI-UHFFFAOYSA-N
MW469.46 g/mol
LogP4.00
Rot. Bonds8

About 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 11525657) has the molecular formula C25H19N5O5 and a molecular weight of 469.46 g/mol. Its IUPAC name is 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID11525657
Molecular FormulaC25H19N5O5
Molecular Weight469.46 g/mol
Exact Mass469.14
IUPAC Name5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(Cn1cc(COc2ccc(-c3cc(C(=O)O)no3)cc2)nn1)Nc1cccc2ccccc12
InChIInChI=1S/C25H19N5O5/c31-24(26-21-7-3-5-16-4-1-2-6-20(16)21)14-30-13-18(27-29-30)15-34-19-10-8-17(9-11-19)23-12-22(25(32)33)28-35-23/h1-13H,14-15H2,(H,26,31)(H,32,33)
InChIKeyHWMMGVGYHWISNI-UHFFFAOYSA-N
XLogP4.00
TPSA132.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid with MolForge

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Related Compounds

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5-[4-fluoro-2-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid
CID 42612301
2-[[2-[4-[(4-formylphenoxy)methyl]triazol-1-yl]acetyl]amino]benzamide
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CID 171904962
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CID 119055260
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2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid (CID 11525657) is 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid is O=C(Cn1cc(COc2ccc(-c3cc(C(=O)O)no3)cc2)nn1)Nc1cccc2ccccc12.
What is the InChIKey of 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is HWMMGVGYHWISNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O5/c31-24(26-21-7-3-5-16-4-1-2-6-20(16)21)14-30-13-18(27-29-30)15-34-19-10-8-17(9-11-19)23-12-22(25(32)33)28-35-23/h1-13H,14-15H2,(H,26,31)(H,32,33).
What are the key properties of 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 469.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]triazol-4-yl]methoxy]phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 11525657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).