(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate

C21H20N2O4 — CID 2571078

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESCc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H20N2O4/c1-14-18(15(2)27-23-14)13-26-21(25)17-10-6-7-11-19(17)22-20(24)12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyXFRGAFGJTXJRDS-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.83
Rot. Bonds6

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 2571078) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
PubChem CID2571078
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESCc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C21H20N2O4/c1-14-18(15(2)27-23-14)13-26-21(25)17-10-6-7-11-19(17)22-20(24)12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,24)
InChIKeyXFRGAFGJTXJRDS-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate (CID 2571078) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate is Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is XFRGAFGJTXJRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-14-18(15(2)27-23-14)13-26-21(25)17-10-6-7-11-19(17)22-20(24)12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,24).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 2571078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).