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

C11H8ClNO4 — CID 82088303

IUPAC5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1COc1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO4/c12-7-2-1-3-8(4-7)16-5-9-10(11(14)15)13-6-17-9/h1-4,6H,5H2,(H,14,15)
InChIKeyFSMNEXSYQWGSLB-UHFFFAOYSA-N
MW253.64 g/mol
LogP2.61
Rot. Bonds4

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

5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 82088303) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID82088303
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1COc1cccc(Cl)c1
InChIInChI=1S/C11H8ClNO4/c12-7-2-1-3-8(4-7)16-5-9-10(11(14)15)13-6-17-9/h1-4,6H,5H2,(H,14,15)
InChIKeyFSMNEXSYQWGSLB-UHFFFAOYSA-N
XLogP2.61
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-(dimethylamino)phenoxy]methyl]-1,3-oxazole-4-carboxylic acid
CID 82090735
5-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxylic acid
CID 82087072
4-[(3-chlorophenoxy)methyl]-1,2-thiazole-5-carboxylic acid
CID 117216468
5-[2-(3-chlorophenoxy)ethyl]-1,2-oxazole-3-carboxylic acid
CID 82092376
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
3-[(3-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256903
3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid
CID 71765674
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
5-[[2-[(3-chlorophenoxy)methyl]furan-3-carbonyl]amino]-2-hydroxybenzoic acid
CID 4912676
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
CID 62459366
CID 131885829
CID 131885829
2-[(3-chlorophenoxy)methyl]-1-benzothiophene-6-carboxylic acid
CID 117179913

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid (CID 82088303) is 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1COc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is FSMNEXSYQWGSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c12-7-2-1-3-8(4-7)16-5-9-10(11(14)15)13-6-17-9/h1-4,6H,5H2,(H,14,15).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid?
5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 253.64 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 82088303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).