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

C23H21FN4O2 — CID 8589814

IUPAC3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2/c1-3-20-21(15(2)30-27-20)23(29)25-13-17-14-28(19-7-5-4-6-8-19)26-22(17)16-9-11-18(24)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,25,29)
InChIKeyGBBBXHBTRHOZDK-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.47
Rot. Bonds6

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

3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 8589814) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID8589814
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2/c1-3-20-21(15(2)30-27-20)23(29)25-13-17-14-28(19-7-5-4-6-8-19)26-22(17)16-9-11-18(24)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,25,29)
InChIKeyGBBBXHBTRHOZDK-UHFFFAOYSA-N
XLogP4.47
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 46511717
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 18228691
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
4-[(E)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 46557225
(E)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 27173171
N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 42889854
2-ethoxy-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]benzamide
CID 24551887
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1356321
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
CID 19288831
5-bromo-N-[2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 24551892
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 24516176

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 8589814) is 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GBBBXHBTRHOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-3-20-21(15(2)30-27-20)23(29)25-13-17-14-28(19-7-5-4-6-8-19)26-22(17)16-9-11-18(24)12-10-16/h4-12,14H,3,13H2,1-2H3,(H,25,29).
What are the key properties of 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 8589814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).