3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide

C15H12FN5O2 — CID 154857473

IUPAC3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(-c2ncccc2F)c1)c1cc(C2CC2)no1
InChIInChI=1S/C15H12FN5O2/c16-11-2-1-5-17-14(11)21-8-10(7-18-21)19-15(22)13-6-12(20-23-13)9-3-4-9/h1-2,5-9H,3-4H2,(H,19,22)
InChIKeyWEJTZVSLAXTVCM-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.52
Rot. Bonds4

About 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide (PubChem CID 154857473) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide
PubChem CID154857473
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cnn(-c2ncccc2F)c1)c1cc(C2CC2)no1
InChIInChI=1S/C15H12FN5O2/c16-11-2-1-5-17-14(11)21-8-10(7-18-21)19-15(22)13-6-12(20-23-13)9-3-4-9/h1-2,5-9H,3-4H2,(H,19,22)
InChIKeyWEJTZVSLAXTVCM-UHFFFAOYSA-N
XLogP2.52
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 90446489
N-[2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1-hydroxycyclopropane-1-carboxamide
CID 90446492
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
CID 146220666
US20230286943, Example 81
CID 162362202
US20230286943, Example 82
CID 162362347
4-bromo-3-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,2-oxazole-5-carboxamide
CID 165415271
5-pyrimidin-4-yl-N-[1-[[4-(trifluoromethyl)pyridin-3-yl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 146220498
N-(1-benzylpyrazol-4-yl)-5-pyrimidin-4-yl-1,2-oxazole-3-carboxamide
CID 156596118
US20230286943, Example 24
CID 162362209
US20230286943, Example 42
CID 162362252
US20230286943, Example 34
CID 162362267
US20230286943, Example 27
CID 162362283

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide (CID 154857473) is 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide is O=C(Nc1cnn(-c2ncccc2F)c1)c1cc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is WEJTZVSLAXTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c16-11-2-1-5-17-14(11)21-8-10(7-18-21)19-15(22)13-6-12(20-23-13)9-3-4-9/h1-2,5-9H,3-4H2,(H,19,22).
What are the key properties of 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 313.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154857473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).