N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

C24H23FN4O2S — CID 55592682

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)on1
InChIInChI=1S/C24H23FN4O2S/c1-15-12-20(31-28-15)14-32-23-7-5-4-6-21(23)24(30)27-16(2)22-13-26-29(17(22)3)19-10-8-18(25)9-11-19/h4-13,16H,14H2,1-3H3,(H,27,30)
InChIKeyLVDVGBBDYLTUIX-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.40
Rot. Bonds7

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (PubChem CID 55592682) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
PubChem CID55592682
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
SMILESCc1cc(CSc2ccccc2C(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)on1
InChIInChI=1S/C24H23FN4O2S/c1-15-12-20(31-28-15)14-32-23-7-5-4-6-21(23)24(30)27-16(2)22-13-26-29(17(22)3)19-10-8-18(25)9-11-19/h4-13,16H,14H2,1-3H3,(H,27,30)
InChIKeyLVDVGBBDYLTUIX-UHFFFAOYSA-N
XLogP5.40
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
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CID 57422276
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 24791131
5-ethyl-N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-isoxazolecarboxamide
CID 44251467
5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 2738162
N-[1-[1-(2,6-difluorophenyl)ethyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 156248286
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CID 172616071
N-[1-(2-methylsulfanyl-1-phenylethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146229909
N-[1-(3-methylsulfanyl-1-phenylpropyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 146230110
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 3485366
2-(difluoromethylsulfanyl)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 3851629
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 8589804

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide (CID 55592682) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is Cc1cc(CSc2ccccc2C(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)on1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
The InChIKey is LVDVGBBDYLTUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-15-12-20(31-28-15)14-32-23-7-5-4-6-21(23)24(30)27-16(2)22-13-26-29(17(22)3)19-10-8-18(25)9-11-19/h4-13,16H,14H2,1-3H3,(H,27,30).
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 55592682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).