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

C14H14N2O5 — CID 60910796

IUPAC3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
SMILESCc1cc(NC(=O)COc2c(C)cccc2C(=O)O)no1
InChIInChI=1S/C14H14N2O5/c1-8-4-3-5-10(14(18)19)13(8)20-7-12(17)15-11-6-9(2)21-16-11/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyHJXUXSNVECJCEI-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.01
Rot. Bonds5

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

3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid (PubChem CID 60910796) 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)amino]-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
PubChem CID60910796
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid
SMILESCc1cc(NC(=O)COc2c(C)cccc2C(=O)O)no1
InChIInChI=1S/C14H14N2O5/c1-8-4-3-5-10(14(18)19)13(8)20-7-12(17)15-11-6-9(2)21-16-11/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyHJXUXSNVECJCEI-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

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Related Compounds

3-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]benzoic acid
CID 43358370
3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]pyridine-4-carboxylic acid
CID 81445469
2-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzoic acid
CID 5046071
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7894277
2-(3-chlorophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2632943
2-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]phenyl]acetic acid
CID 80723767
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] quinoxaline-5-carboxylate
CID 23971613
2-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60911052
2-[3-(aminomethyl)phenoxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106485131
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2620897
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2668978
2-(2,4-dimethoxyphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 19058874

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid (CID 60910796) is 3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid is Cc1cc(NC(=O)COc2c(C)cccc2C(=O)O)no1.
What is the InChIKey of 3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid?
The InChIKey is HJXUXSNVECJCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-8-4-3-5-10(14(18)19)13(8)20-7-12(17)15-11-6-9(2)21-16-11/h3-6H,7H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]benzoic acid?
3-methyl-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethoxy]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)amino]-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 60910796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).