2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one

C23H24N4O2S — CID 35358675

IUPAC2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
SMILESCCc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H24N4O2S/c1-5-15-10-12-16(13-11-15)27-20(28)17-8-6-7-9-18(17)24-22(27)30-14-19-25-21(29-26-19)23(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyLVCHDWYBDVQIDH-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.92
Rot. Bonds5

About 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one (PubChem CID 35358675) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
PubChem CID35358675
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
SMILESCCc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H24N4O2S/c1-5-15-10-12-16(13-11-15)27-20(28)17-8-6-7-9-18(17)24-22(27)30-14-19-25-21(29-26-19)23(2,3)4/h6-13H,5,14H2,1-4H3
InChIKeyLVCHDWYBDVQIDH-UHFFFAOYSA-N
XLogP4.92
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)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-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one
CID 154799020
2-[(4-tert-butylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 3427684
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
CID 46634448
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-one
CID 35361433
2-[(4-tert-butylphenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 5007096
2-[[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 3508697
4-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)benzonitrile
CID 46664415
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18130534
2-[(3,5-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365622

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one (CID 35358675) is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one is CCc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
The InChIKey is LVCHDWYBDVQIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-5-15-10-12-16(13-11-15)27-20(28)17-8-6-7-9-18(17)24-22(27)30-14-19-25-21(29-26-19)23(2,3)4/h6-13H,5,14H2,1-4H3.
What are the key properties of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one?
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one has a molecular weight of 420.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one is sourced from PubChem (CID 35358675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).