(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

C17H12N4O4 — CID 71898209

IUPAC(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C17H12N4O4/c22-17(13-9-12(19-20-13)14-7-4-8-23-14)24-10-15-18-16(21-25-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChIKeyXFWQNWRCNQDEQL-UHFFFAOYSA-N
MW336.31 g/mol
LogP3.08
Rot. Bonds5

About (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (PubChem CID 71898209) has the molecular formula C17H12N4O4 and a molecular weight of 336.31 g/mol. Its IUPAC name is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
PubChem CID71898209
Molecular FormulaC17H12N4O4
Molecular Weight336.31 g/mol
Exact Mass336.09
IUPAC Name(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
SMILESO=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccco2)n[nH]1
InChIInChI=1S/C17H12N4O4/c22-17(13-9-12(19-20-13)14-7-4-8-23-14)24-10-15-18-16(21-25-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20)
InChIKeyXFWQNWRCNQDEQL-UHFFFAOYSA-N
XLogP3.08
TPSA107.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
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CID 55563013
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-chloro-1H-pyrrole-2-carboxylate
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(5-chlorothiophen-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
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(3-phenyl-1,2,4-oxadiazol-5-yl)methyl furan-3-carboxylate
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(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3,4-dichlorobenzoate
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(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate
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(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 5-acetylthiophene-2-carboxylate
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(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-chloro-4-fluorobenzoate
CID 8764401
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-ethoxybenzoate
CID 8607847
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
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(3-methyl-1,2-oxazol-5-yl)methyl 3-phenyl-1H-pyrazole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate (CID 71898209) is (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is O=C(OCc1nc(-c2ccccc2)no1)c1cc(-c2ccco2)n[nH]1.
What is the InChIKey of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is XFWQNWRCNQDEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4/c22-17(13-9-12(19-20-13)14-7-4-8-23-14)24-10-15-18-16(21-25-15)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20).
What are the key properties of (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate?
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 336.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 71898209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).