3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole

C17H14N4O — CID 155553629

IUPAC3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc2[nH]nc(-c3ccccc3)c12
InChIInChI=1S/C17H14N4O/c1-10-14(11(2)22-21-10)17-15-13(8-9-18-17)19-20-16(15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20)
InChIKeyFSQJMWJSBLNNKD-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.90
Rot. Bonds2

About 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole

3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole (PubChem CID 155553629) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
PubChem CID155553629
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole
SMILESCc1noc(C)c1-c1nccc2[nH]nc(-c3ccccc3)c12
InChIInChI=1S/C17H14N4O/c1-10-14(11(2)22-21-10)17-15-13(8-9-18-17)19-20-16(15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20)
InChIKeyFSQJMWJSBLNNKD-UHFFFAOYSA-N
XLogP3.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.90
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-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole (CID 155553629) is 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole is Cc1noc(C)c1-c1nccc2[nH]nc(-c3ccccc3)c12.
What is the InChIKey of 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole?
The InChIKey is FSQJMWJSBLNNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c1-10-14(11(2)22-21-10)17-15-13(8-9-18-17)19-20-16(15)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole?
3,5-dimethyl-4-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole has a molecular weight of 290.33 g/mol, XLogP of 3.90, 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-(3-phenyl-1H-pyrazolo[4,3-c]pyridin-4-yl)-1,2-oxazole is sourced from PubChem (CID 155553629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).