5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid

C17H18N2O5 — CID 126833640

IUPAC5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1COCC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H18N2O5/c20-15(10-23-9-14-16(17(21)22)18-11-24-14)19(13-6-7-13)8-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,21,22)
InChIKeyBEPOODSCUPEUOX-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.08
Rot. Bonds8

About 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid

5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 126833640) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID126833640
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1COCC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C17H18N2O5/c20-15(10-23-9-14-16(17(21)22)18-11-24-14)19(13-6-7-13)8-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,21,22)
InChIKeyBEPOODSCUPEUOX-UHFFFAOYSA-N
XLogP2.08
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid (CID 126833640) is 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1COCC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is BEPOODSCUPEUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-15(10-23-9-14-16(17(21)22)18-11-24-14)19(13-6-7-13)8-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,21,22).
What are the key properties of 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid?
5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[benzyl(cyclopropyl)amino]-2-oxoethoxy]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 126833640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).