2-(5-phenyl-1,3-oxazol-2-yl)propanoate

C12H10NO3- — CID 57371463

IUPAC2-(5-phenyl-1,3-oxazol-2-yl)propanoate
SMILESCC(C(=O)[O-])c1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H11NO3/c1-8(12(14)15)11-13-7-10(16-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)/p-1
InChIKeyPCFZKBOVQGQJDZ-UHFFFAOYSA-M
MW216.22 g/mol
LogP1.20
Rot. Bonds3

About 2-(5-phenyl-1,3-oxazol-2-yl)propanoate

2-(5-phenyl-1,3-oxazol-2-yl)propanoate (PubChem CID 57371463) has the molecular formula C12H10NO3- and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-(5-phenyl-1,3-oxazol-2-yl)propanoate.

Molecular Properties

Compound Name2-(5-phenyl-1,3-oxazol-2-yl)propanoate
PubChem CID57371463
Molecular FormulaC12H10NO3-
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name2-(5-phenyl-1,3-oxazol-2-yl)propanoate
SMILESCC(C(=O)[O-])c1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H11NO3/c1-8(12(14)15)11-13-7-10(16-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)/p-1
InChIKeyPCFZKBOVQGQJDZ-UHFFFAOYSA-M
XLogP1.20
TPSA66.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The IUPAC name of 2-(5-phenyl-1,3-oxazol-2-yl)propanoate (CID 57371463) is 2-(5-phenyl-1,3-oxazol-2-yl)propanoate.
What is the SMILES notation for 2-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The canonical SMILES for 2-(5-phenyl-1,3-oxazol-2-yl)propanoate is CC(C(=O)[O-])c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(5-phenyl-1,3-oxazol-2-yl)propanoate?
The InChIKey is PCFZKBOVQGQJDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11NO3/c1-8(12(14)15)11-13-7-10(16-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,14,15)/p-1.
What are the key properties of 2-(5-phenyl-1,3-oxazol-2-yl)propanoate?
2-(5-phenyl-1,3-oxazol-2-yl)propanoate has a molecular weight of 216.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,3-oxazol-2-yl)propanoate is sourced from PubChem (CID 57371463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).