5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole

C22H15N5O2 — CID 60503325

IUPAC5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(Oc3nc(-c4cccnc4)nc4ccccc34)c2)no1
InChIInChI=1S/C22H15N5O2/c1-14-24-21(27-29-14)15-6-4-8-17(12-15)28-22-18-9-2-3-10-19(18)25-20(26-22)16-7-5-11-23-13-16/h2-13H,1H3
InChIKeyNBPODSPAWWVSKT-UHFFFAOYSA-N
MW381.40 g/mol
LogP4.84
Rot. Bonds4

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

5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole (PubChem CID 60503325) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole
PubChem CID60503325
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(Oc3nc(-c4cccnc4)nc4ccccc34)c2)no1
InChIInChI=1S/C22H15N5O2/c1-14-24-21(27-29-14)15-6-4-8-17(12-15)28-22-18-9-2-3-10-19(18)25-20(26-22)16-7-5-11-23-13-16/h2-13H,1H3
InChIKeyNBPODSPAWWVSKT-UHFFFAOYSA-N
XLogP4.84
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole (CID 60503325) is 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole is Cc1nc(-c2cccc(Oc3nc(-c4cccnc4)nc4ccccc34)c2)no1.
What is the InChIKey of 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole?
The InChIKey is NBPODSPAWWVSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c1-14-24-21(27-29-14)15-6-4-8-17(12-15)28-22-18-9-2-3-10-19(18)25-20(26-22)16-7-5-11-23-13-16/h2-13H,1H3.
What are the key properties of 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole?
5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole has a molecular weight of 381.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(2-pyridin-3-ylquinazolin-4-yl)oxyphenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 60503325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).