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

C14H14N2O5 — CID 43358417

IUPAC2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
SMILESCc1cc(OCC(=O)NC(C(=O)O)c2ccccc2)no1
InChIInChI=1S/C14H14N2O5/c1-9-7-12(16-21-9)20-8-11(17)15-13(14(18)19)10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyMXLDWJNLCBQUBX-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.30
Rot. Bonds6

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

2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid (PubChem CID 43358417) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
PubChem CID43358417
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid
SMILESCc1cc(OCC(=O)NC(C(=O)O)c2ccccc2)no1
InChIInChI=1S/C14H14N2O5/c1-9-7-12(16-21-9)20-8-11(17)15-13(14(18)19)10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,15,17)(H,18,19)
InChIKeyMXLDWJNLCBQUBX-UHFFFAOYSA-N
XLogP1.30
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284193
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
(2S)-4-methyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]pentanoic acid
CID 61155868
3,3-dimethyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 43467740
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 31108342
2-phenyl-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 119113417
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085
2-[(5-methyl-1,2-oxazol-3-yl)oxy]-N-(4-propan-2-ylphenyl)acetamide
CID 17396950
(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 119372492
3-methyl-4-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]butanoic acid
CID 81065180
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
N-(2-bromoprop-2-enyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 115594509

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid (CID 43358417) is 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid is Cc1cc(OCC(=O)NC(C(=O)O)c2ccccc2)no1.
What is the InChIKey of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid?
The InChIKey is MXLDWJNLCBQUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-9-7-12(16-21-9)20-8-11(17)15-13(14(18)19)10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid?
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid has a molecular weight of 290.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 43358417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).