N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

C20H15FN4O2 — CID 146220630

IUPACN-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C20H15FN4O2/c21-17-9-5-4-8-16(17)19-10-18(24-27-19)20(26)23-15-11-22-25(13-15)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,23,26)
InChIKeyLRHJRZOVPWUBFM-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.98
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide

N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 146220630) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID146220630
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C20H15FN4O2/c21-17-9-5-4-8-16(17)19-10-18(24-27-19)20(26)23-15-11-22-25(13-15)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,23,26)
InChIKeyLRHJRZOVPWUBFM-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-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
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CID 24790939
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[4-(5-isoxazolyl)phenyl]propanamide
CID 24790950
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
CID 2962287
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))[5-(4-fluorophenyl)isoxazol-3-yl]carboxamide
CID 15988804
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 25206166
US10889564, Example 13
CID 26396555
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide (CID 146220630) is N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1cc(-c2ccccc2F)on1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LRHJRZOVPWUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c21-17-9-5-4-8-16(17)19-10-18(24-27-19)20(26)23-15-11-22-25(13-15)12-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,23,26).
What are the key properties of N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-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-benzylpyrazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).