2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid

C12H13NO4 — CID 115061194

IUPAC2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)CC1COC(Cc2ccccc2O)=N1
InChIInChI=1S/C12H13NO4/c14-10-4-2-1-3-8(10)5-11-13-9(7-17-11)6-12(15)16/h1-4,9,14H,5-7H2,(H,15,16)
InChIKeyAEIOTJAJMVBXIB-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.21
Rot. Bonds4

About 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid

2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid (PubChem CID 115061194) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
PubChem CID115061194
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)CC1COC(Cc2ccccc2O)=N1
InChIInChI=1S/C12H13NO4/c14-10-4-2-1-3-8(10)5-11-13-9(7-17-11)6-12(15)16/h1-4,9,14H,5-7H2,(H,15,16)
InChIKeyAEIOTJAJMVBXIB-UHFFFAOYSA-N
XLogP1.21
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid (CID 115061194) is 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid is O=C(O)CC1COC(Cc2ccccc2O)=N1.
What is the InChIKey of 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
The InChIKey is AEIOTJAJMVBXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-10-4-2-1-3-8(10)5-11-13-9(7-17-11)6-12(15)16/h1-4,9,14H,5-7H2,(H,15,16).
What are the key properties of 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid?
2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid has a molecular weight of 235.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 115061194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).