5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

C16H18N2O6 — CID 75368231

IUPAC5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOCC(=O)N[C@H](C)c1onc(-c2ccc(OC)cc2)c1C(=O)O
InChIInChI=1S/C16H18N2O6/c1-9(17-12(19)8-22-2)15-13(16(20)21)14(18-24-15)10-4-6-11(23-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,19)(H,20,21)/t9-/m1/s1
InChIKeySISBMKXPDPGDIZ-SECBINFHSA-N
MW334.33 g/mol
LogP1.87
Rot. Bonds7

About 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 75368231) has the molecular formula C16H18N2O6 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID75368231
Molecular FormulaC16H18N2O6
Molecular Weight334.33 g/mol
Exact Mass334.12
IUPAC Name5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCOCC(=O)N[C@H](C)c1onc(-c2ccc(OC)cc2)c1C(=O)O
InChIInChI=1S/C16H18N2O6/c1-9(17-12(19)8-22-2)15-13(16(20)21)14(18-24-15)10-4-6-11(23-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,19)(H,20,21)/t9-/m1/s1
InChIKeySISBMKXPDPGDIZ-SECBINFHSA-N
XLogP1.87
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid (CID 75368231) is 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is COCC(=O)N[C@H](C)c1onc(-c2ccc(OC)cc2)c1C(=O)O.
What is the InChIKey of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is SISBMKXPDPGDIZ-SECBINFHSA-N. The full InChI is InChI=1S/C16H18N2O6/c1-9(17-12(19)8-22-2)15-13(16(20)21)14(18-24-15)10-4-6-11(23-3)7-5-10/h4-7,9H,8H2,1-3H3,(H,17,19)(H,20,21)/t9-/m1/s1.
What are the key properties of 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid?
5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[(2-methoxyacetyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).