3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid

C19H16N4O3 — CID 23723321

IUPAC3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C19H16N4O3/c24-19(25)18-10-16(13-5-2-1-3-6-13)21-23(18)12-15-9-17(22-26-15)14-7-4-8-20-11-14/h1-8,10-11,15H,9,12H2,(H,24,25)
InChIKeyBSZACOIPLHRGJK-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.84
Rot. Bonds5

About 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid

3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid (PubChem CID 23723321) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid
PubChem CID23723321
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C19H16N4O3/c24-19(25)18-10-16(13-5-2-1-3-6-13)21-23(18)12-15-9-17(22-26-15)14-7-4-8-20-11-14/h1-8,10-11,15H,9,12H2,(H,24,25)
InChIKeyBSZACOIPLHRGJK-UHFFFAOYSA-N
XLogP2.84
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid?
The IUPAC name of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid (CID 23723321) is 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1.
What is the InChIKey of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid?
The InChIKey is BSZACOIPLHRGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-19(25)18-10-16(13-5-2-1-3-6-13)21-23(18)12-15-9-17(22-26-15)14-7-4-8-20-11-14/h1-8,10-11,15H,9,12H2,(H,24,25).
What are the key properties of 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid?
3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxylic acid is sourced from PubChem (CID 23723321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).