2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid

C15H16N2O4 — CID 81369159

IUPAC2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ncoc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H16N2O4/c1-9-12(21-8-16-9)13(18)17-11-6-4-10(5-7-11)15(2,3)14(19)20/h4-8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyPOLIYIXLLHMPDT-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.60
Rot. Bonds4

About 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid

2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid (PubChem CID 81369159) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
PubChem CID81369159
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ncoc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H16N2O4/c1-9-12(21-8-16-9)13(18)17-11-6-4-10(5-7-11)15(2,3)14(19)20/h4-8H,1-3H3,(H,17,18)(H,19,20)
InChIKeyPOLIYIXLLHMPDT-UHFFFAOYSA-N
XLogP2.60
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid (CID 81369159) is 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid is Cc1ncoc1C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is POLIYIXLLHMPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-12(21-8-16-9)13(18)17-11-6-4-10(5-7-11)15(2,3)14(19)20/h4-8H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid?
2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 288.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 81369159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).