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

C18H13FN6O2 — CID 146220666

IUPACN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccncn2)on1
InChIInChI=1S/C18H13FN6O2/c19-13-3-1-2-12(6-13)9-25-10-14(8-22-25)23-18(26)16-7-17(27-24-16)15-4-5-20-11-21-15/h1-8,10-11H,9H2,(H,23,26)
InChIKeyVLPCSVJCVLLLIL-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.77
Rot. Bonds5

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

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide (PubChem CID 146220666) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
PubChem CID146220666
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC NameN-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccncn2)on1
InChIInChI=1S/C18H13FN6O2/c19-13-3-1-2-12(6-13)9-25-10-14(8-22-25)23-18(26)16-7-17(27-24-16)15-4-5-20-11-21-15/h1-8,10-11H,9H2,(H,23,26)
InChIKeyVLPCSVJCVLLLIL-UHFFFAOYSA-N
XLogP2.77
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388111
4-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 67388758
8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1-propyl-1H-purine-2,6(3H,7H)-dione
CID 22266771
8-(1-((5-phenylisoxazol-3-yl)methyl)-1H-pyrazol-4-yl)-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione
CID 22266775
2-[1-[(2-fluorophenyl)methyl]-5-(3-isoxazolyl)-1H-pyrazol-3-yl]-4-pyrimidinamine
CID 68642339
US10899753, Example 75
CID 148433347
US10899753, Example 63
CID 149926546
US10899753, Example 64
CID 151819109
US10899753, Example 76
CID 151954233
N-[1-(3-Fluorobenzyl)-1H-pyrazol-4-YL]-5-phenyl-3-isoxazolecarboxamide
CID 4867418
2,2,2-trifluoro-N-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]acetamide
CID 90445739
3,3,3-trifluoro-N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]propanamide
CID 90445860

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide (CID 146220666) is N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(-c2ccncn2)on1.
What is the InChIKey of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VLPCSVJCVLLLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-13-3-1-2-12(6-13)9-25-10-14(8-22-25)23-18(26)16-7-17(27-24-16)15-4-5-20-11-21-15/h1-8,10-11H,9H2,(H,23,26).
What are the key properties of N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide?
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).