propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate

C21H20N2O4 — CID 17173451

IUPACpropan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C21H20N2O4/c1-13(2)26-21(25)16-9-11-17(12-10-16)22-20(24)18-14(3)27-23-19(18)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,24)
InChIKeyBTJQIRXOHLHCKS-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.47
Rot. Bonds5

About propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate

propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate (PubChem CID 17173451) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
PubChem CID17173451
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Namepropan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
InChIInChI=1S/C21H20N2O4/c1-13(2)26-21(25)16-9-11-17(12-10-16)22-20(24)18-14(3)27-23-19(18)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,24)
InChIKeyBTJQIRXOHLHCKS-UHFFFAOYSA-N
XLogP4.47
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate (CID 17173451) is propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The InChIKey is BTJQIRXOHLHCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13(2)26-21(25)16-9-11-17(12-10-16)22-20(24)18-14(3)27-23-19(18)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,22,24).
What are the key properties of propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate?
propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate has a molecular weight of 364.40 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 17173451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).