(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

C15H13N3O3 — CID 9477490

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
SMILESCc1cc(COC(=O)c2cc(-c3ccccc3)n[nH]2)on1
InChIInChI=1S/C15H13N3O3/c1-10-7-12(21-18-10)9-20-15(19)14-8-13(16-17-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyOYIAARPZIWUPPF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.73
Rot. Bonds4

About (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate (PubChem CID 9477490) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
PubChem CID9477490
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
SMILESCc1cc(COC(=O)c2cc(-c3ccccc3)n[nH]2)on1
InChIInChI=1S/C15H13N3O3/c1-10-7-12(21-18-10)9-20-15(19)14-8-13(16-17-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyOYIAARPZIWUPPF-UHFFFAOYSA-N
XLogP2.73
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 9478731
methyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 644585
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 16612344
(3-methyl-1,2-oxazol-5-yl)methyl 2-methyl-1H-indole-3-carboxylate
CID 18100055
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
bis(3-phenyl-1H-pyrazol-5-yl)methanone
CID 174669259
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 71898209
(3-methyl-1,2-oxazol-5-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 18124049
2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 118877078
3-methyl-5-[[2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenoxy]methyl]-1,2-oxazole
CID 2192631
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-methylphenyl)-1H-pyrazole-5-carboxylate
CID 30706243
ethyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 75357938

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate (CID 9477490) is (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate is Cc1cc(COC(=O)c2cc(-c3ccccc3)n[nH]2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate?
The InChIKey is OYIAARPZIWUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-10-7-12(21-18-10)9-20-15(19)14-8-13(16-17-14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 9477490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).