3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid

C14H14N2O5 — CID 43358370

IUPAC3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
SMILESCc1cc(OCC(=O)Nc2c(C)cccc2C(=O)O)no1
InChIInChI=1S/C14H14N2O5/c1-8-4-3-5-10(14(18)19)13(8)15-11(17)7-20-12-6-9(2)21-16-12/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZUKIFVPXDVLADR-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.01
Rot. Bonds5

About 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid

3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid (PubChem CID 43358370) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
PubChem CID43358370
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
SMILESCc1cc(OCC(=O)Nc2c(C)cccc2C(=O)O)no1
InChIInChI=1S/C14H14N2O5/c1-8-4-3-5-10(14(18)19)13(8)15-11(17)7-20-12-6-9(2)21-16-12/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyZUKIFVPXDVLADR-UHFFFAOYSA-N
XLogP2.01
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid with MolForge

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Related Compounds

3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 60910796
4-fluoro-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
CID 43358599
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17396950
2-[(2-aminoacetyl)amino]-3-methylbenzoic acid
CID 69328399
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
CID 43358417
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(2-propoxyphenyl)acetamide
CID 30994014
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 31108342
3-methyl-2-[[2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 43235606
N-(2-hydroxy-2-methylpropyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 65109456
N-(2,6-dimethylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109035848
3-methyl-2-[3-(5-methylfuran-2-yl)propanoylamino]benzoic acid
CID 6489244

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
The IUPAC name of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid (CID 43358370) is 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid.
What is the SMILES notation for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
The canonical SMILES for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid is Cc1cc(OCC(=O)Nc2c(C)cccc2C(=O)O)no1.
What is the InChIKey of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
The InChIKey is ZUKIFVPXDVLADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-4-3-5-10(14(18)19)13(8)15-11(17)7-20-12-6-9(2)21-16-12/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid?
3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid has a molecular weight of 290.28 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid is sourced from PubChem (CID 43358370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).