(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate

C14H12N4O3 — CID 18166388

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate
SMILESCc1noc(COC(=O)c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C14H12N4O3/c1-10-16-13(21-17-10)9-20-14(19)11-7-15-18(8-11)12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeyPESUEJPZHVEXNH-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.92
Rot. Bonds4

About (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate (PubChem CID 18166388) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate
PubChem CID18166388
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate
SMILESCc1noc(COC(=O)c2cnn(-c3ccccc3)c2)n1
InChIInChI=1S/C14H12N4O3/c1-10-16-13(21-17-10)9-20-14(19)11-7-15-18(8-11)12-5-3-2-4-6-12/h2-8H,9H2,1H3
InChIKeyPESUEJPZHVEXNH-UHFFFAOYSA-N
XLogP1.92
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate
CID 75433348
2-oxopropyl 1-phenylpyrazole-4-carboxylate
CID 55425880
pyridin-3-ylmethyl 1-phenylpyrazole-4-carboxylate
CID 75485194
[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 55425881
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 34278244
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 18169782
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
[3-[(2-bromophenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl 1-phenylpyrazole-4-carboxylate
CID 75453214
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(benzenesulfonylmethyl)benzoate
CID 60518876
ethyl 5-(1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379364
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylpyrazole-4-carboxylate
CID 40767451
(2-methoxyphenyl) 1-phenylpyrazole-4-carboxylate
CID 46546914

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate (CID 18166388) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate is Cc1noc(COC(=O)c2cnn(-c3ccccc3)c2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate?
The InChIKey is PESUEJPZHVEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-10-16-13(21-17-10)9-20-14(19)11-7-15-18(8-11)12-5-3-2-4-6-12/h2-8H,9H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate has a molecular weight of 284.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 18166388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).