2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid

C15H11NO3S — CID 13105439

IUPAC2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)oc1-c1ccsc1
InChIInChI=1S/C15H11NO3S/c17-13(18)8-12-14(11-6-7-20-9-11)19-15(16-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)
InChIKeyVBUAYVMJSGBIPJ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.70
Rot. Bonds4

About 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid

2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid (PubChem CID 13105439) has the molecular formula C15H11NO3S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid
PubChem CID13105439
Molecular FormulaC15H11NO3S
Molecular Weight285.32 g/mol
Exact Mass285.05
IUPAC Name2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid
SMILESO=C(O)Cc1nc(-c2ccccc2)oc1-c1ccsc1
InChIInChI=1S/C15H11NO3S/c17-13(18)8-12-14(11-6-7-20-9-11)19-15(16-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)
InChIKeyVBUAYVMJSGBIPJ-UHFFFAOYSA-N
XLogP3.70
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid (CID 13105439) is 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid is O=C(O)Cc1nc(-c2ccccc2)oc1-c1ccsc1.
What is the InChIKey of 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is VBUAYVMJSGBIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3S/c17-13(18)8-12-14(11-6-7-20-9-11)19-15(16-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18).
What are the key properties of 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid?
2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid has a molecular weight of 285.32 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-5-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 13105439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).