3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one

C26H23N5O2S — CID 17418046

IUPAC3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
SMILESCC(c1ccccc1)n1c(SCCCc2nc(-c3cccnc3)no2)nc2ccccc2c1=O
InChIInChI=1S/C26H23N5O2S/c1-18(19-9-3-2-4-10-19)31-25(32)21-12-5-6-13-22(21)28-26(31)34-16-8-14-23-29-24(30-33-23)20-11-7-15-27-17-20/h2-7,9-13,15,17-18H,8,14,16H2,1H3
InChIKeyWDKFTSISIBVZAL-UHFFFAOYSA-N
MW469.57 g/mol
LogP5.18
Rot. Bonds8

About 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one

3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one (PubChem CID 17418046) has the molecular formula C26H23N5O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
PubChem CID17418046
Molecular FormulaC26H23N5O2S
Molecular Weight469.57 g/mol
Exact Mass469.16
IUPAC Name3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
SMILESCC(c1ccccc1)n1c(SCCCc2nc(-c3cccnc3)no2)nc2ccccc2c1=O
InChIInChI=1S/C26H23N5O2S/c1-18(19-9-3-2-4-10-19)31-25(32)21-12-5-6-13-22(21)28-26(31)34-16-8-14-23-29-24(30-33-23)20-11-7-15-27-17-20/h2-7,9-13,15,17-18H,8,14,16H2,1H3
InChIKeyWDKFTSISIBVZAL-UHFFFAOYSA-N
XLogP5.18
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.57
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]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

3-propyl-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 16583234
3-(4-fluorophenyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 112809502
3-(4-methyl-2-pyridinyl)-2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one
CID 16625332
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500834
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one
CID 8532621
2-phenacylsulfanyl-3-[(1R)-1-phenylethyl]quinazolin-4-one
CID 7500866
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-[(1S)-1-phenylethyl]quinazolin-4-one
CID 8951967
3-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 8580485
N-(2-phenylpropyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 42957633
3-(3-methylbutyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 42204613
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(1-pyridin-3-ylethyl)butanamide
CID 24642203
N-butan-2-yl-2-[4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 18076375

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one (CID 17418046) is 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one is CC(c1ccccc1)n1c(SCCCc2nc(-c3cccnc3)no2)nc2ccccc2c1=O.
What is the InChIKey of 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one?
The InChIKey is WDKFTSISIBVZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-18(19-9-3-2-4-10-19)31-25(32)21-12-5-6-13-22(21)28-26(31)34-16-8-14-23-29-24(30-33-23)20-11-7-15-27-17-20/h2-7,9-13,15,17-18H,8,14,16H2,1H3.
What are the key properties of 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one?
3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one has a molecular weight of 469.57 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)-2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 17418046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).