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

C11H11NO3 — CID 10798271

IUPAC2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
SMILESO=C(O)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyMUFJHYRCIHHATF-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.65
Rot. Bonds3

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

2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid (PubChem CID 10798271) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
PubChem CID10798271
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
SMILESO=C(O)CC1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKeyMUFJHYRCIHHATF-UHFFFAOYSA-N
XLogP1.65
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
The IUPAC name of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid (CID 10798271) is 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid is O=C(O)CC1CC(c2ccccc2)=NO1.
What is the InChIKey of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
The InChIKey is MUFJHYRCIHHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14).
What are the key properties of 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid?
2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid has a molecular weight of 205.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid is sourced from PubChem (CID 10798271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).