2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one

C21H21N5O2S — CID 25332739

IUPAC2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one
SMILESCCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cccc(C)n2)n1
InChIInChI=1S/C21H21N5O2S/c1-3-4-11-17-24-19(28-25-17)13-29-21-23-16-10-6-5-9-15(16)20(27)26(21)18-12-7-8-14(2)22-18/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyJHCWADWENMLLBC-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.11
Rot. Bonds7

About 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 25332739) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID25332739
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one
SMILESCCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cccc(C)n2)n1
InChIInChI=1S/C21H21N5O2S/c1-3-4-11-17-24-19(28-25-17)13-29-21-23-16-10-6-5-9-15(16)20(27)26(21)18-12-7-8-14(2)22-18/h5-10,12H,3-4,11,13H2,1-2H3
InChIKeyJHCWADWENMLLBC-UHFFFAOYSA-N
XLogP4.11
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2,6-dimethylphenyl)quinazolin-4-one
CID 24651629
3-butyl-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 55533484
3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 36819270
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-methoxy-5-methylphenyl)quinazolin-4-one
CID 36682447
3-(2-propan-2-ylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 36679445
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 38869162
3-(2,5-dimethylphenyl)-2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 24631347
3-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 18147414
N-[(2R)-butan-2-yl]-2-[3-(6-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 40575405
3-(4-butylphenyl)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 24577505
3-butyl-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]quinazolin-4-one
CID 16535474
5-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-butyl-1,2,4-oxadiazole
CID 86919708

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one (CID 25332739) is 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one is CCCCc1noc(CSc2nc3ccccc3c(=O)n2-c2cccc(C)n2)n1.
What is the InChIKey of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is JHCWADWENMLLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-3-4-11-17-24-19(28-25-17)13-29-21-23-16-10-6-5-9-15(16)20(27)26(21)18-12-7-8-14(2)22-18/h5-10,12H,3-4,11,13H2,1-2H3.
What are the key properties of 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one has a molecular weight of 407.50 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-(6-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 25332739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).