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

C18H13FN4O3 — CID 5082003

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H13FN4O3/c19-13-5-3-12(4-6-13)10-23-11-14(9-20-23)21-18(24)15-8-17(26-22-15)16-2-1-7-25-16/h1-9,11H,10H2,(H,21,24)
InChIKeyGELZXFQZAOXTDI-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.57
Rot. Bonds5

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

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 5082003) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID5082003
Molecular FormulaC18H13FN4O3
Molecular Weight352.33 g/mol
Exact Mass352.10
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C18H13FN4O3/c19-13-5-3-12(4-6-13)10-23-11-14(9-20-23)21-18(24)15-8-17(26-22-15)16-2-1-7-25-16/h1-9,11H,10H2,(H,21,24)
InChIKeyGELZXFQZAOXTDI-UHFFFAOYSA-N
XLogP3.57
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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5-(2-furyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
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N-[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-5-(2-furanyl)-3-isoxazolecarboxamide
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N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(2-furyl)isoxazole-3-carboxamide
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5-(2-furyl)-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
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5-[(2,4-difluorophenoxy)methyl]-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]isoxazole-3-carboxamide
CID 16190361
5-[(2,6-difluorophenoxy)methyl]-N-[1-(1-phenyl-1H-pyrazol-4-yl)ethyl]isoxazole-3-carboxamide
CID 16192015
5-[(2,6-difluorophenoxy)methyl]-N-[3-(1H-indazol-1-yl)propyl]isoxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 5082003) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is GELZXFQZAOXTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3/c19-13-5-3-12(4-6-13)10-23-11-14(9-20-23)21-18(24)15-8-17(26-22-15)16-2-1-7-25-16/h1-9,11H,10H2,(H,21,24).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5082003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).