ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate

C15H16N2O4 — CID 7113437

IUPACethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2oc(C)nc2C)cc1
InChIInChI=1S/C15H16N2O4/c1-4-20-15(19)11-5-7-12(8-6-11)17-14(18)13-9(2)16-10(3)21-13/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyKQHORQYBFULSHB-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.72
Rot. Bonds4

About ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate

ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate (PubChem CID 7113437) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
PubChem CID7113437
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Nameethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2oc(C)nc2C)cc1
InChIInChI=1S/C15H16N2O4/c1-4-20-15(19)11-5-7-12(8-6-11)17-14(18)13-9(2)16-10(3)21-13/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyKQHORQYBFULSHB-UHFFFAOYSA-N
XLogP2.72
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate (CID 7113437) is ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2oc(C)nc2C)cc1.
What is the InChIKey of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate?
The InChIKey is KQHORQYBFULSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-4-20-15(19)11-5-7-12(8-6-11)17-14(18)13-9(2)16-10(3)21-13/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate?
ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate has a molecular weight of 288.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 7113437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).