2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid

C14H14N2O4 — CID 22997584

IUPAC2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid
SMILESCC(=O)NC(Cc1ccc(-c2ccno2)cc1)C(=O)O
InChIInChI=1S/C14H14N2O4/c1-9(17)16-12(14(18)19)8-10-2-4-11(5-3-10)13-6-7-15-20-13/h2-7,12H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRXLZYWTPJUGEI-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.47
Rot. Bonds5

About 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid

2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid (PubChem CID 22997584) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid
PubChem CID22997584
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid
SMILESCC(=O)NC(Cc1ccc(-c2ccno2)cc1)C(=O)O
InChIInChI=1S/C14H14N2O4/c1-9(17)16-12(14(18)19)8-10-2-4-11(5-3-10)13-6-7-15-20-13/h2-7,12H,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyKRXLZYWTPJUGEI-UHFFFAOYSA-N
XLogP1.47
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44416965
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CID 2812099
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CID 172429200
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CID 53789467

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid?
The IUPAC name of 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid (CID 22997584) is 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid?
The canonical SMILES for 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid is CC(=O)NC(Cc1ccc(-c2ccno2)cc1)C(=O)O.
What is the InChIKey of 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid?
The InChIKey is KRXLZYWTPJUGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9(17)16-12(14(18)19)8-10-2-4-11(5-3-10)13-6-7-15-20-13/h2-7,12H,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid?
2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid has a molecular weight of 274.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[4-(1,2-oxazol-5-yl)phenyl]propanoic acid is sourced from PubChem (CID 22997584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).