3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole

C13H12N4O — CID 95857692

IUPAC3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16)
InChIKeyJYTPHNOPQGAILG-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.74
Rot. Bonds2

About 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole

3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole (PubChem CID 95857692) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole
PubChem CID95857692
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16)
InChIKeyJYTPHNOPQGAILG-UHFFFAOYSA-N
XLogP2.74
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole (CID 95857692) is 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole is Cc1noc(C)c1-c1[nH]ncc1-c1ccncc1.
What is the InChIKey of 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole?
The InChIKey is JYTPHNOPQGAILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-12(9(2)18-17-8)13-11(7-15-16-13)10-3-5-14-6-4-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole?
3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole has a molecular weight of 240.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)-1,2-oxazole is sourced from PubChem (CID 95857692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).