2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid

C14H11N3O3 — CID 167894290

IUPAC2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H11N3O3/c18-14(19)12-9-20-13(16-12)8-17-7-11(6-15-17)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,19)
InChIKeyDQSXLOOYVQFCEP-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.28
Rot. Bonds4

About 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid

2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 167894290) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID167894290
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cn2cc(-c3ccccc3)cn2)n1
InChIInChI=1S/C14H11N3O3/c18-14(19)12-9-20-13(16-12)8-17-7-11(6-15-17)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,19)
InChIKeyDQSXLOOYVQFCEP-UHFFFAOYSA-N
XLogP2.28
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-cyanopyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid
CID 167905517
6-[(4-phenylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903692
2-[(4-phenylphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 176989464
4-[(4-phenylpyrazol-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973952
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
CID 115084007
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 62770459
2-[5-[(4-phenylpyrazol-1-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62770976
2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 99133443
2-(2,3-dihydroindol-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 82294084
3-[(4-phenylpyrazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63640244
2-(4-phenylpyrazol-1-yl)acetaldehyde
CID 62770102

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid (CID 167894290) is 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Cn2cc(-c3ccccc3)cn2)n1.
What is the InChIKey of 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is DQSXLOOYVQFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)12-9-20-13(16-12)8-17-7-11(6-15-17)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,19).
What are the key properties of 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 167894290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).