3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole

C17H18F2N4O — CID 126778463

IUPAC3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CC(C)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C17H18F2N4O/c1-9(7-13-10(2)21-23(4)11(13)3)17-20-16(22-24-17)12-5-6-14(18)15(19)8-12/h5-6,8-9H,7H2,1-4H3
InChIKeyFPNSIFFISNUUCO-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.71
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole

3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole (PubChem CID 126778463) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
PubChem CID126778463
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1CC(C)c1nc(-c2ccc(F)c(F)c2)no1
InChIInChI=1S/C17H18F2N4O/c1-9(7-13-10(2)21-23(4)11(13)3)17-20-16(22-24-17)12-5-6-14(18)15(19)8-12/h5-6,8-9H,7H2,1-4H3
InChIKeyFPNSIFFISNUUCO-UHFFFAOYSA-N
XLogP3.71
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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1-(3-{[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-1-pyrrolidinyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1-propanone
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5-[1-(2,2-Dimethylpropyl)-4,5,6,7-tetrahydrobenzotriazol-5-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
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5-[2-(1-Methylpyrazol-4-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
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3-(o-fluorophenyl)-5-{[(R)-1-(1-methyl-3,5-dimethyl-4-pyrazolylsulfonyl)-3-piperidyl]methyl}-1,2,4-oxadiazole
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5-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole (CID 126778463) is 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1CC(C)c1nc(-c2ccc(F)c(F)c2)no1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
The InChIKey is FPNSIFFISNUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-9(7-13-10(2)21-23(4)11(13)3)17-20-16(22-24-17)12-5-6-14(18)15(19)8-12/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole?
3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole has a molecular weight of 332.35 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 126778463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).