2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid

C17H20N2O5 — CID 119188959

IUPAC2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H20N2O5/c1-23-10-9-19(12-17(21)22)16(20)8-7-15-18-11-14(24-15)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,21,22)
InChIKeyWTNRDDODYIZQFU-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.83
Rot. Bonds9

About 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid

2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid (PubChem CID 119188959) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid
PubChem CID119188959
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H20N2O5/c1-23-10-9-19(12-17(21)22)16(20)8-7-15-18-11-14(24-15)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,21,22)
InChIKeyWTNRDDODYIZQFU-UHFFFAOYSA-N
XLogP1.83
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid (CID 119188959) is 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid?
The InChIKey is WTNRDDODYIZQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-23-10-9-19(12-17(21)22)16(20)8-7-15-18-11-14(24-15)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,21,22).
What are the key properties of 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid has a molecular weight of 332.36 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119188959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).