3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole

C14H10F3N3OS — CID 9380226

IUPAC3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2nc(C(F)(F)F)nc3ccccc23)on1
InChIInChI=1S/C14H10F3N3OS/c1-8-6-9(21-20-8)7-22-12-10-4-2-3-5-11(10)18-13(19-12)14(15,16)17/h2-6H,7H2,1H3
InChIKeyQAUQZWSAZFGENM-UHFFFAOYSA-N
MW325.32 g/mol
LogP4.24
Rot. Bonds3

About 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole

3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 9380226) has the molecular formula C14H10F3N3OS and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID9380226
Molecular FormulaC14H10F3N3OS
Molecular Weight325.32 g/mol
Exact Mass325.05
IUPAC Name3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1cc(CSc2nc(C(F)(F)F)nc3ccccc23)on1
InChIInChI=1S/C14H10F3N3OS/c1-8-6-9(21-20-8)7-22-12-10-4-2-3-5-11(10)18-13(19-12)14(15,16)17/h2-6H,7H2,1H3
InChIKeyQAUQZWSAZFGENM-UHFFFAOYSA-N
XLogP4.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-Cyclopentyl-ethyl)-quinazolin-4-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 651643
N-(5-Methyl-isoxazol-3-yl)-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 653552
3,5-Dimethyl-4-((quinolin-2-ylthio)methyl)isoxazole
CID 755902
N-(5-methyl-3-isoxazolyl)-2-[(2-propan-2-yl-4-quinazolinyl)thio]acetamide
CID 1442803
N-(5-methyl-1,2-oxazol-3-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2607885
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylquinazolin-4-amine
CID 3234198
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluorophenyl)quinazolin-4-amine
CID 3235280
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233613
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 649052
Acetamide,2-[[2-(tert-butyl)-4-quinazolinyl]thio]-N-(5-methyl-3-isoxazolyl)-
CID 1442423
3,5-Dimethyl-4-(quinazolin-4-ylsulfanylmethyl)-1,2-oxazole
CID 2410091
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylquinazolin-4-amine
CID 3232643

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole (CID 9380226) is 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole is Cc1cc(CSc2nc(C(F)(F)F)nc3ccccc23)on1.
What is the InChIKey of 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is QAUQZWSAZFGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3OS/c1-8-6-9(21-20-8)7-22-12-10-4-2-3-5-11(10)18-13(19-12)14(15,16)17/h2-6H,7H2,1H3.
What are the key properties of 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole?
3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 325.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[2-(trifluoromethyl)quinazolin-4-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 9380226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).