3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C21H19FN4O2 — CID 17026206

IUPAC3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1Cn1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1
InChIInChI=1S/C21H19FN4O2/c1-14-4-2-3-5-16(14)13-26-11-10-20(24-26)23-21(27)19-12-18(25-28-19)15-6-8-17(22)9-7-15/h2-11,19H,12-13H2,1H3,(H,23,24,27)
InChIKeyZSWCFMUYYWQYPO-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.51
Rot. Bonds5

About 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17026206) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17026206
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccccc1Cn1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1
InChIInChI=1S/C21H19FN4O2/c1-14-4-2-3-5-16(14)13-26-11-10-20(24-26)23-21(27)19-12-18(25-28-19)15-6-8-17(22)9-7-15/h2-11,19H,12-13H2,1H3,(H,23,24,27)
InChIKeyZSWCFMUYYWQYPO-UHFFFAOYSA-N
XLogP3.51
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5-dihydroisoxazole-5-carboxamide
CID 3238818
3-(4-fluorophenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307633
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(3-fluorooxetan-3-yl)phenyl]acetamide
CID 118560458
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(3-methyloxetan-3-yl)phenyl]acetamide
CID 126740652
N-(1-benzylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 145973704
N-[1-[(5,5-difluorooxan-2-yl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 145975140
(3R,5S)-1-benzyl-5-(4-fluorophenyl)-N-(1-methylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 134809377
3-(2-fluorophenyl)-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 20869145
3-(3,4-dichlorophenyl)-N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]-4,5-dihydro-5-isoxazolecarboxamide
CID 2962217
3-(3-bromophenyl)-N-[1-(2-methylbenzyl)-1H-pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2972041
N-{1-[(4-Fluorophenyl)methyl]pyrazol-4-YL}-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 16673216

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17026206) is 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccccc1Cn1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is ZSWCFMUYYWQYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14-4-2-3-5-16(14)13-26-11-10-20(24-26)23-21(27)19-12-18(25-28-19)15-6-8-17(22)9-7-15/h2-11,19H,12-13H2,1H3,(H,23,24,27).
What are the key properties of 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17026206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).