N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C24H23FN4O2 — CID 8589804

IUPACN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-15(2)23-21(16(3)28-31-23)24(30)26-13-18-14-29(20-7-5-4-6-8-20)27-22(18)17-9-11-19(25)12-10-17/h4-12,14-15H,13H2,1-3H3,(H,26,30)
InChIKeyFGQGXSLOCBIHIN-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.03
Rot. Bonds6

About N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 8589804) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID8589804
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-15(2)23-21(16(3)28-31-23)24(30)26-13-18-14-29(20-7-5-4-6-8-20)27-22(18)17-9-11-19(25)12-10-17/h4-12,14-15H,13H2,1-3H3,(H,26,30)
InChIKeyFGQGXSLOCBIHIN-UHFFFAOYSA-N
XLogP5.03
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 8589804) is N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FGQGXSLOCBIHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-15(2)23-21(16(3)28-31-23)24(30)26-13-18-14-29(20-7-5-4-6-8-20)27-22(18)17-9-11-19(25)12-10-17/h4-12,14-15H,13H2,1-3H3,(H,26,30).
What are the key properties of N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8589804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).