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

C21H19FN4O2 — CID 16673216

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2)=NO1
InChIInChI=1S/C21H19FN4O2/c1-21(11-19(25-28-21)16-5-3-2-4-6-16)20(27)24-18-12-23-26(14-18)13-15-7-9-17(22)10-8-15/h2-10,12,14H,11,13H2,1H3,(H,24,27)
InChIKeyAHJLOWBSKNSKIF-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.59
Rot. Bonds5

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 16673216) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID16673216
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCC1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2)=NO1
InChIInChI=1S/C21H19FN4O2/c1-21(11-19(25-28-21)16-5-3-2-4-6-16)20(27)24-18-12-23-26(14-18)13-15-7-9-17(22)10-8-15/h2-10,12,14H,11,13H2,1H3,(H,24,27)
InChIKeyAHJLOWBSKNSKIF-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 2962251
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307998
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2,2-diphenylacetamide
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3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 5307827
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CID 3158076
3-(1-ethyl-5-methylpyrazol-4-yl)-N-(4-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 9550707
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2-phenylcyclopropanecarboxamide
CID 5226283
3-(3-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 2962247
N-[1-(3-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963773
N-[1-(2-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46963792
5-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-3-phenyl-4H-1,2-oxazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 16673216) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is CC1(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)CC(c2ccccc2)=NO1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is AHJLOWBSKNSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-21(11-19(25-28-21)16-5-3-2-4-6-16)20(27)24-18-12-23-26(14-18)13-15-7-9-17(22)10-8-15/h2-10,12,14H,11,13H2,1H3,(H,24,27).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 16673216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).