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

C13H10FN5O2 — CID 154858224

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(-c3ncccc3F)c2)on1
InChIInChI=1S/C13H10FN5O2/c1-8-5-11(21-18-8)13(20)17-9-6-16-19(7-9)12-10(14)3-2-4-15-12/h2-7H,1H3,(H,17,20)
InChIKeyBTOJNPXDSVEAKW-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.96
Rot. Bonds3

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

N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 154858224) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID154858224
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(-c3ncccc3F)c2)on1
InChIInChI=1S/C13H10FN5O2/c1-8-5-11(21-18-8)13(20)17-9-6-16-19(7-9)12-10(14)3-2-4-15-12/h2-7H,1H3,(H,17,20)
InChIKeyBTOJNPXDSVEAKW-UHFFFAOYSA-N
XLogP1.96
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 154858224) is N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cnn(-c3ncccc3F)c2)on1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is BTOJNPXDSVEAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2/c1-8-5-11(21-18-8)13(20)17-9-6-16-19(7-9)12-10(14)3-2-4-15-12/h2-7H,1H3,(H,17,20).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 287.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154858224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).