5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid

C14H11N3O3 — CID 117426069

IUPAC5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cnn(-c2ccc(-c3cc(C(=O)O)no3)cc2)c1
InChIInChI=1S/C14H11N3O3/c1-9-7-15-17(8-9)11-4-2-10(3-5-11)13-6-12(14(18)19)16-20-13/h2-8H,1H3,(H,18,19)
InChIKeySJJPQKHIUDSPAE-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.53
Rot. Bonds3

About 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117426069) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117426069
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cnn(-c2ccc(-c3cc(C(=O)O)no3)cc2)c1
InChIInChI=1S/C14H11N3O3/c1-9-7-15-17(8-9)11-4-2-10(3-5-11)13-6-12(14(18)19)16-20-13/h2-8H,1H3,(H,18,19)
InChIKeySJJPQKHIUDSPAE-UHFFFAOYSA-N
XLogP2.53
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(triazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393453
5-(1-methylindazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117359203
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[3-(triazol-2-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117393454
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117369563
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 82500452
4-[[4-(4-methylpyrazol-1-yl)phenyl]diazenyl]phenol
CID 137250300
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136
5-(2,3-dimethyl-1-benzofuran-5-yl)-1,2-oxazole-3-carboxylic acid
CID 115003560
5-[4-(oxetan-3-ylsulfanyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117444036

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117426069) is 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid is Cc1cnn(-c2ccc(-c3cc(C(=O)O)no3)cc2)c1.
What is the InChIKey of 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is SJJPQKHIUDSPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-9-7-15-17(8-9)11-4-2-10(3-5-11)13-6-12(14(18)19)16-20-13/h2-8H,1H3,(H,18,19).
What are the key properties of 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpyrazol-1-yl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117426069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).