4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid

C12H11NO4 — CID 96598289

IUPAC4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid
SMILESCOc1ccc(Cc2ncoc2C(=O)O)cc1
InChIInChI=1S/C12H11NO4/c1-16-9-4-2-8(3-5-9)6-10-11(12(14)15)17-7-13-10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyUVEGFDALPWNJTC-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.97
Rot. Bonds4

About 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid

4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 96598289) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid
PubChem CID96598289
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid
SMILESCOc1ccc(Cc2ncoc2C(=O)O)cc1
InChIInChI=1S/C12H11NO4/c1-16-9-4-2-8(3-5-9)6-10-11(12(14)15)17-7-13-10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyUVEGFDALPWNJTC-UHFFFAOYSA-N
XLogP1.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)methyl]-1,2-oxazole-4-carboxylic acid
CID 91211734
4-chloro-3-[(4-methoxyphenyl)methyl]-1,2-thiazole-5-carboxylic acid
CID 57313489
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82087072
1-[3-[(4-methoxyphenyl)methyl]-5-methyl-1,2-oxazol-4-yl]ethanone
CID 102598875
5-chloro-2-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxylic acid
CID 82168616
2-[4-chloro-3-[(4-methoxyphenyl)methyl]pyrazol-1-yl]acetic acid
CID 57115089
3,4-dimethoxy-2-[(4-methoxyphenyl)methyl]benzoic acid
CID 11289635
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
1-(4-methoxyphenyl)propan-2-yl acetate
CID 12523796
1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
1-[2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115084076

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid (CID 96598289) is 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid is COc1ccc(Cc2ncoc2C(=O)O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is UVEGFDALPWNJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-16-9-4-2-8(3-5-9)6-10-11(12(14)15)17-7-13-10/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid?
4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 96598289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).