3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid

C15H14FN5O3 — CID 66646190

IUPAC3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1CNc1cc(C(=O)O)n(C)n1
InChIInChI=1S/C15H14FN5O3/c1-8-10(7-18-13-5-12(15(22)23)21(2)19-13)14(20-24-8)11-4-3-9(16)6-17-11/h3-6H,7H2,1-2H3,(H,18,19)(H,22,23)
InChIKeyGIGYQCFDVYRBBV-UHFFFAOYSA-N
MW331.31 g/mol
LogP2.23
Rot. Bonds5

About 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid

3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid (PubChem CID 66646190) has the molecular formula C15H14FN5O3 and a molecular weight of 331.31 g/mol. Its IUPAC name is 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid
PubChem CID66646190
Molecular FormulaC15H14FN5O3
Molecular Weight331.31 g/mol
Exact Mass331.11
IUPAC Name3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid
SMILESCc1onc(-c2ccc(F)cn2)c1CNc1cc(C(=O)O)n(C)n1
InChIInChI=1S/C15H14FN5O3/c1-8-10(7-18-13-5-12(15(22)23)21(2)19-13)14(20-24-8)11-4-3-9(16)6-17-11/h3-6H,7H2,1-2H3,(H,18,19)(H,22,23)
InChIKeyGIGYQCFDVYRBBV-UHFFFAOYSA-N
XLogP2.23
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid (CID 66646190) is 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid is Cc1onc(-c2ccc(F)cn2)c1CNc1cc(C(=O)O)n(C)n1.
What is the InChIKey of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid?
The InChIKey is GIGYQCFDVYRBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O3/c1-8-10(7-18-13-5-12(15(22)23)21(2)19-13)14(20-24-8)11-4-3-9(16)6-17-11/h3-6H,7H2,1-2H3,(H,18,19)(H,22,23).
What are the key properties of 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid?
3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid has a molecular weight of 331.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methylamino]-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 66646190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).