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

C21H17N5OS — CID 16612283

IUPAC5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
SMILESCc1nc2c3ccccc3nc(SCc3nc(-c4ccccc4)oc3C)n2n1
InChIInChI=1S/C21H17N5OS/c1-13-18(23-20(27-13)15-8-4-3-5-9-15)12-28-21-24-17-11-7-6-10-16(17)19-22-14(2)25-26(19)21/h3-11H,12H2,1-2H3
InChIKeyZKGXSDOMVJDIJJ-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.84
Rot. Bonds4

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

5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole (PubChem CID 16612283) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
PubChem CID16612283
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole
SMILESCc1nc2c3ccccc3nc(SCc3nc(-c4ccccc4)oc3C)n2n1
InChIInChI=1S/C21H17N5OS/c1-13-18(23-20(27-13)15-8-4-3-5-9-15)12-28-21-24-17-11-7-6-10-16(17)19-22-14(2)25-26(19)21/h3-11H,12H2,1-2H3
InChIKeyZKGXSDOMVJDIJJ-UHFFFAOYSA-N
XLogP4.84
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-ethyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 46297490
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-5-phenyl-1,3-oxazole
CID 55482715
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanol
CID 16584695
3-cyclopentyl-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 16611488
2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-3-(oxolan-2-ylmethyl)quinazolin-4-one
CID 16589235
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 167961936
3-[(3,4-dimethoxyphenyl)methyl]-2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 55504943
3-[(4-methoxyphenyl)methyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 46297619
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-3-(3-methylbutyl)quinazolin-4-one
CID 46297519
3-(4-methoxyphenyl)-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]quinazolin-4-one
CID 46297542
2-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 6624310
1-[2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethyl]pyrrolidine-2,5-dione
CID 35364253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole (CID 16612283) is 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole is Cc1nc2c3ccccc3nc(SCc3nc(-c4ccccc4)oc3C)n2n1.
What is the InChIKey of 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole?
The InChIKey is ZKGXSDOMVJDIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c1-13-18(23-20(27-13)15-8-4-3-5-9-15)12-28-21-24-17-11-7-6-10-16(17)19-22-14(2)25-26(19)21/h3-11H,12H2,1-2H3.
What are the key properties of 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole?
5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole has a molecular weight of 387.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanylmethyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 16612283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).