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

C14H10F2N4O3 — CID 75433348

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate
SMILESCc1noc(COC(=O)c2cnn(-c3ccc(F)cc3F)c2)n1
InChIInChI=1S/C14H10F2N4O3/c1-8-18-13(23-19-8)7-22-14(21)9-5-17-20(6-9)12-3-2-10(15)4-11(12)16/h2-6H,7H2,1H3
InChIKeyNOLHAZIZAYZUDK-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.20
Rot. Bonds4

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

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate (PubChem CID 75433348) has the molecular formula C14H10F2N4O3 and a molecular weight of 320.26 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate
PubChem CID75433348
Molecular FormulaC14H10F2N4O3
Molecular Weight320.26 g/mol
Exact Mass320.07
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate
SMILESCc1noc(COC(=O)c2cnn(-c3ccc(F)cc3F)c2)n1
InChIInChI=1S/C14H10F2N4O3/c1-8-18-13(23-19-8)7-22-14(21)9-5-17-20(6-9)12-3-2-10(15)4-11(12)16/h2-6H,7H2,1H3
InChIKeyNOLHAZIZAYZUDK-UHFFFAOYSA-N
XLogP2.20
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate
CID 18166388
ethyl 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxylate
CID 81497590
(4-fluoro-2-methylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 75484648
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 1-methylpyrazole-4-carboxylate
CID 40767451
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35834578
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1,3-benzothiazole-6-carboxylate
CID 18147223
ethyl 1-(2-amino-4-bromo-5-fluorophenyl)pyrazole-4-carboxylate
CID 81497470
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 32751861
ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate
CID 143435103
ethyl 1-(2-amino-4-methylphenyl)pyrazole-4-carboxylate
CID 81498302
ethyl 1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrazole-4-carboxylate
CID 81497688
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 18147554

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate (CID 75433348) is (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate is Cc1noc(COC(=O)c2cnn(-c3ccc(F)cc3F)c2)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
The InChIKey is NOLHAZIZAYZUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O3/c1-8-18-13(23-19-8)7-22-14(21)9-5-17-20(6-9)12-3-2-10(15)4-11(12)16/h2-6H,7H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-(2,4-difluorophenyl)pyrazole-4-carboxylate has a molecular weight of 320.26 g/mol, XLogP of 2.20, 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-(2,4-difluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 75433348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).