5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid

C18H15NO4 — CID 118536656

IUPAC5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccc(-c3ccccc3)cc2)on1
InChIInChI=1S/C18H15NO4/c20-18(21)17-10-16(23-19-17)12-22-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-10H,11-12H2,(H,20,21)
InChIKeyGVVGYEQQRHLCRQ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.76
Rot. Bonds6

About 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid

5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 118536656) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID118536656
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCc2ccc(-c3ccccc3)cc2)on1
InChIInChI=1S/C18H15NO4/c20-18(21)17-10-16(23-19-17)12-22-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-10H,11-12H2,(H,20,21)
InChIKeyGVVGYEQQRHLCRQ-UHFFFAOYSA-N
XLogP3.76
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 90326056
5-[(3-chloro-5-fluorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325816
3-bromo-5-(phenylmethoxymethyl)-1,2-oxazole
CID 102492503
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
4-hydroxy-4-methoxy-1-[5-(phenylmethoxymethyl)-1,2-oxazol-3-yl]butan-1-one
CID 149130193
5-(benzylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397512
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazole-3-carboxylic acid
CID 102721456
5-(1-phenylethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397458
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 66322137
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376

Frequently Asked Questions

What is the IUPAC name of 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid (CID 118536656) is 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCc2ccc(-c3ccccc3)cc2)on1.
What is the InChIKey of 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GVVGYEQQRHLCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-18(21)17-10-16(23-19-17)12-22-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-10H,11-12H2,(H,20,21).
What are the key properties of 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 309.32 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 118536656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).