2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid

C13H14N2O3 — CID 57285741

IUPAC2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C13H14N2O3/c1-13(2,15-12(16)17)10-5-3-9(4-6-10)11-7-8-14-18-11/h3-8,15H,1-2H3,(H,16,17)
InChIKeyDEKAIFGKAOCHGE-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.84
Rot. Bonds3

About 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid

2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid (PubChem CID 57285741) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid
PubChem CID57285741
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid
SMILESCC(C)(NC(=O)O)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C13H14N2O3/c1-13(2,15-12(16)17)10-5-3-9(4-6-10)11-7-8-14-18-11/h3-8,15H,1-2H3,(H,16,17)
InChIKeyDEKAIFGKAOCHGE-UHFFFAOYSA-N
XLogP2.84
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid?
The IUPAC name of 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid (CID 57285741) is 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid?
The canonical SMILES for 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid is CC(C)(NC(=O)O)c1ccc(-c2ccno2)cc1.
What is the InChIKey of 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid?
The InChIKey is DEKAIFGKAOCHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-13(2,15-12(16)17)10-5-3-9(4-6-10)11-7-8-14-18-11/h3-8,15H,1-2H3,(H,16,17).
What are the key properties of 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid?
2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid has a molecular weight of 246.27 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-oxazol-5-yl)phenyl]propan-2-ylcarbamic acid is sourced from PubChem (CID 57285741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).