4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid

C14H11N3O4 — CID 60870347

IUPAC4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)cc1OCc1cnoc1
InChIInChI=1S/C14H11N3O4/c18-14(19)13-12(20-8-10-6-15-21-9-10)7-17(16-13)11-4-2-1-3-5-11/h1-7,9H,8H2,(H,18,19)
InChIKeyBEUBNSZXHDVJMP-UHFFFAOYSA-N
MW285.26 g/mol
LogP2.14
Rot. Bonds5

About 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid

4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid (PubChem CID 60870347) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid
PubChem CID60870347
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2)cc1OCc1cnoc1
InChIInChI=1S/C14H11N3O4/c18-14(19)13-12(20-8-10-6-15-21-9-10)7-17(16-13)11-4-2-1-3-5-11/h1-7,9H,8H2,(H,18,19)
InChIKeyBEUBNSZXHDVJMP-UHFFFAOYSA-N
XLogP2.14
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-amino-2-oxoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43246414
4-(4-methoxybutoxy)-1-phenylpyrazole-3-carboxylic acid
CID 104646795
1-phenyl-4-(3,3,3-trifluoropropoxy)pyrazole-3-carboxylic acid
CID 64552674
4-(2-acetamidoethoxy)-1-phenylpyrazole-3-carboxylic acid
CID 43310291
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
ethyl 1-phenyl-4-[(4-pyrazol-1-ylphenyl)methoxy]pyrazole-3-carboxylate
CID 56528108
1-(1,2-oxazol-4-ylmethoxy)naphthalene-2-carboxylic acid
CID 61223878
ethyl 4-[(5-chlorothiophen-2-yl)methoxy]-1-phenylpyrazole-3-carboxylate
CID 55868050
2-(1-phenyl-3-phenylmethoxypyrazol-4-yl)acetic acid
CID 69430505
bromo 4-ethyl-1-phenylpyrazole-3-carboxylate
CID 91569504
1,2-oxazol-4-ylmethyl 2-(2-aminophenoxy)acetate
CID 61323491
1-(4-fluorophenyl)-4-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 42109808

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid (CID 60870347) is 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2)cc1OCc1cnoc1.
What is the InChIKey of 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid?
The InChIKey is BEUBNSZXHDVJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-14(19)13-12(20-8-10-6-15-21-9-10)7-17(16-13)11-4-2-1-3-5-11/h1-7,9H,8H2,(H,18,19).
What are the key properties of 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid?
4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-4-ylmethoxy)-1-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 60870347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).