5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid

C10H6ClNO3 — CID 1133644

IUPAC5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChIKeyCRTZVRLESCICCT-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.69
Rot. Bonds2

About 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid

5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 1133644) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID1133644
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14)
InChIKeyCRTZVRLESCICCT-UHFFFAOYSA-N
XLogP2.69
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117369563
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754562
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
N-(4-chloro-2-fluorophenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807161
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]propanoic acid
CID 135334733
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid (CID 1133644) is 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is CRTZVRLESCICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-5H,(H,13,14).
What are the key properties of 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 1133644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).