3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one

C20H17N3O2S — CID 154799020

IUPAC3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one
SMILESCCc1ccc(-n2c(SCc3ccno3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H17N3O2S/c1-2-14-7-9-15(10-8-14)23-19(24)17-5-3-4-6-18(17)22-20(23)26-13-16-11-12-21-25-16/h3-12H,2,13H2,1H3
InChIKeyQAPOYUKLAMBXFH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.23
Rot. Bonds5

About 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one

3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 154799020) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one
PubChem CID154799020
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one
SMILESCCc1ccc(-n2c(SCc3ccno3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H17N3O2S/c1-2-14-7-9-15(10-8-14)23-19(24)17-5-3-4-6-18(17)22-20(23)26-13-16-11-12-21-25-16/h3-12H,2,13H2,1H3
InChIKeyQAPOYUKLAMBXFH-UHFFFAOYSA-N
XLogP4.23
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
CID 35358675
2-[(3,5-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365622
2-[(4-tert-butylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 3427684
3-(4-chlorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]quinazolin-4-one
CID 3786495
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
CID 2652423
2-benzylsulfanyl-3-(3,4-difluorophenyl)quinazolin-4-one
CID 23878433
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
CID 4833615
2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide
CID 2605057
3-(4-ethylphenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylquinazolin-4-one
CID 7846312
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18130534

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one (CID 154799020) is 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one is CCc1ccc(-n2c(SCc3ccno3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is QAPOYUKLAMBXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-2-14-7-9-15(10-8-14)23-19(24)17-5-3-4-6-18(17)22-20(23)26-13-16-11-12-21-25-16/h3-12H,2,13H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one?
3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 363.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-2-(1,2-oxazol-5-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 154799020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).