2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid

C16H18N2O5 — CID 174628114

IUPAC2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)C(N)c1nc(C(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C16H18N2O5/c1-16(2,3)23-15(21)10(17)13-18-11(14(19)20)12(22-13)9-7-5-4-6-8-9/h4-8,10H,17H2,1-3H3,(H,19,20)
InChIKeyAIEGHMBXNGSKCF-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.38
Rot. Bonds4

About 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid

2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 174628114) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID174628114
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)C(N)c1nc(C(=O)O)c(-c2ccccc2)o1
InChIInChI=1S/C16H18N2O5/c1-16(2,3)23-15(21)10(17)13-18-11(14(19)20)12(22-13)9-7-5-4-6-8-9/h4-8,10H,17H2,1-3H3,(H,19,20)
InChIKeyAIEGHMBXNGSKCF-UHFFFAOYSA-N
XLogP2.38
TPSA115.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid (CID 174628114) is 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid is CC(C)(C)OC(=O)C(N)c1nc(C(=O)O)c(-c2ccccc2)o1.
What is the InChIKey of 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is AIEGHMBXNGSKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-16(2,3)23-15(21)10(17)13-18-11(14(19)20)12(22-13)9-7-5-4-6-8-9/h4-8,10H,17H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid?
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 318.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 174628114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).