4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

C18H16N4O2S — CID 16588621

IUPAC4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccco2)n1C
InChIInChI=1S/C18H16N4O2S/c1-12-14(19-17(24-12)13-7-4-3-5-8-13)11-25-18-21-20-16(22(18)2)15-9-6-10-23-15/h3-10H,11H2,1-2H3
InChIKeyGYGDTPHGIKZTPK-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.33
Rot. Bonds5

About 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 16588621) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
PubChem CID16588621
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccco2)n1C
InChIInChI=1S/C18H16N4O2S/c1-12-14(19-17(24-12)13-7-4-3-5-8-13)11-25-18-21-20-16(22(18)2)15-9-6-10-23-15/h3-10H,11H2,1-2H3
InChIKeyGYGDTPHGIKZTPK-UHFFFAOYSA-N
XLogP4.33
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole with MolForge

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Related Compounds

4-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16611480
2-(furan-2-yl)-5-methyl-4-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-1,3-oxazole
CID 60611530
3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-5-pyridin-3-yl-1,2,4-triazol-4-amine
CID 95922170
4-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16589280
4-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 16588491
4-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole
CID 60611585
3-[(4-chlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole
CID 580582
2-[(1R)-1-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7629926
3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan-1-amine
CID 92931154
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole
CID 936750
2-(2-methylfuran-3-yl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 16611496
3-[(3,4-difluorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole
CID 95900133

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole (CID 16588621) is 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccco2)n1C.
What is the InChIKey of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is GYGDTPHGIKZTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12-14(19-17(24-12)13-7-4-3-5-8-13)11-25-18-21-20-16(22(18)2)15-9-6-10-23-15/h3-10H,11H2,1-2H3.
What are the key properties of 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole?
4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 352.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 16588621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).