[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C21H20N2O4 — CID 2416796

IUPAC[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-14-19(15(2)27-23-14)21(25)26-13-18(24)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20H,13H2,1-2H3,(H,22,24)
InChIKeyBSEXYPRACGJSBP-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.35
Rot. Bonds6

About [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2416796) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2416796
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2O4/c1-14-19(15(2)27-23-14)21(25)26-13-18(24)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20H,13H2,1-2H3,(H,22,24)
InChIKeyBSEXYPRACGJSBP-UHFFFAOYSA-N
XLogP3.35
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2416796) is [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is BSEXYPRACGJSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-19(15(2)27-23-14)21(25)26-13-18(24)22-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,20H,13H2,1-2H3,(H,22,24).
What are the key properties of [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2416796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).