2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one

C21H20N4O2S — CID 7628835

IUPAC2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2ccccc2c1=O
InChIInChI=1S/C21H20N4O2S/c1-13(2)25-20(26)16-11-7-8-12-17(16)22-21(25)28-14(3)18-23-24-19(27-18)15-9-5-4-6-10-15/h4-14H,1-3H3/t14-/m1/s1
InChIKeyMEUMYXQWJAVMKQ-CQSZACIVSA-N
MW392.48 g/mol
LogP4.88
Rot. Bonds5

About 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one

2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one (PubChem CID 7628835) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
PubChem CID7628835
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one
SMILESCC(C)n1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2ccccc2c1=O
InChIInChI=1S/C21H20N4O2S/c1-13(2)25-20(26)16-11-7-8-12-17(16)22-21(25)28-14(3)18-23-24-19(27-18)15-9-5-4-6-10-15/h4-14H,1-3H3/t14-/m1/s1
InChIKeyMEUMYXQWJAVMKQ-CQSZACIVSA-N
XLogP4.88
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one with MolForge

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Related Compounds

3-(3,5-dimethylphenyl)-2-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]quinazolin-4-one
CID 55384871
3-(2,4-difluorophenyl)-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]quinazolin-4-one
CID 46824343
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanenitrile
CID 7427802
2-[(1R)-1-(2-methylquinazolin-4-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 7627765
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 7427800
7-chloro-3-(3-methoxypropyl)-2-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]quinazolin-4-one
CID 55386217
2-[1-(3-methylquinoxalin-2-yl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 46549092
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-cyclohexylsulfanyl-3-propan-2-ylquinazolin-4-one
CID 10086293
2-[(1R)-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630065
2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-3-propan-2-ylquinazolin-4-one
CID 24654189
3-[[(2S)-oxolan-2-yl]methyl]-2-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylquinazolin-4-one
CID 27716321

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one (CID 7628835) is 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one is CC(C)n1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one?
The InChIKey is MEUMYXQWJAVMKQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-13(2)25-20(26)16-11-7-8-12-17(16)22-21(25)28-14(3)18-23-24-19(27-18)15-9-5-4-6-10-15/h4-14H,1-3H3/t14-/m1/s1.
What are the key properties of 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one?
2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one has a molecular weight of 392.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 7628835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).