2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

C17H15N5O — CID 47059083

IUPAC2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC1=NN(c2ccc(-c3nnc(-c4ccncc4)o3)cc2)CC1
InChIInChI=1S/C17H15N5O/c1-12-8-11-22(21-12)15-4-2-13(3-5-15)16-19-20-17(23-16)14-6-9-18-10-7-14/h2-7,9-10H,8,11H2,1H3
InChIKeyVLOQTIGTBWAWLT-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.38
Rot. Bonds3

About 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 47059083) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID47059083
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC1=NN(c2ccc(-c3nnc(-c4ccncc4)o3)cc2)CC1
InChIInChI=1S/C17H15N5O/c1-12-8-11-22(21-12)15-4-2-13(3-5-15)16-19-20-17(23-16)14-6-9-18-10-7-14/h2-7,9-10H,8,11H2,1H3
InChIKeyVLOQTIGTBWAWLT-UHFFFAOYSA-N
XLogP3.38
TPSA67.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 47059083) is 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is CC1=NN(c2ccc(-c3nnc(-c4ccncc4)o3)cc2)CC1.
What is the InChIKey of 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is VLOQTIGTBWAWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-12-8-11-22(21-12)15-4-2-13(3-5-15)16-19-20-17(23-16)14-6-9-18-10-7-14/h2-7,9-10H,8,11H2,1H3.
What are the key properties of 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 305.34 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 47059083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).