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

C20H15FN4O2 — CID 4867168

IUPACN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H15FN4O2/c21-16-9-5-4-8-15(16)13-25-11-10-19(23-25)22-20(26)17-12-18(27-24-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23,26)
InChIKeyCLACVYLZCUUDMV-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.98
Rot. Bonds5

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

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 4867168) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID4867168
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H15FN4O2/c21-16-9-5-4-8-15(16)13-25-11-10-19(23-25)22-20(26)17-12-18(27-24-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23,26)
InChIKeyCLACVYLZCUUDMV-UHFFFAOYSA-N
XLogP3.98
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 3236497
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830
5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19286635
1-[(4-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286005
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51129992
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 998871
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19285520
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286071
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19285937
N-imidazo[1,2-a]pyridin-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602343
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397366

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 4867168) is N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1ccn(Cc2ccccc2F)n1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is CLACVYLZCUUDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-16-9-5-4-8-15(16)13-25-11-10-19(23-25)22-20(26)17-12-18(27-24-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23,26).
What are the key properties of N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4867168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).