3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid

C10H9NO3 — CID 91152750

IUPAC3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(C2=CCON2)c1
InChIInChI=1S/C10H9NO3/c12-10(13)8-3-1-2-7(6-8)9-4-5-14-11-9/h1-4,6,11H,5H2,(H,12,13)
InChIKeyLRFHTWICDWOPBP-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.26
Rot. Bonds2

About 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid

3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid (PubChem CID 91152750) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid
PubChem CID91152750
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(C2=CCON2)c1
InChIInChI=1S/C10H9NO3/c12-10(13)8-3-1-2-7(6-8)9-4-5-14-11-9/h1-4,6,11H,5H2,(H,12,13)
InChIKeyLRFHTWICDWOPBP-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
The IUPAC name of 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid (CID 91152750) is 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid.
What is the SMILES notation for 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
The canonical SMILES for 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid is O=C(O)c1cccc(C2=CCON2)c1.
What is the InChIKey of 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
The InChIKey is LRFHTWICDWOPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-10(13)8-3-1-2-7(6-8)9-4-5-14-11-9/h1-4,6,11H,5H2,(H,12,13).
What are the key properties of 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid?
3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid has a molecular weight of 191.19 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydro-1,2-oxazol-3-yl)benzoic acid is sourced from PubChem (CID 91152750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).