2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole

C18H15N3O3S — CID 46552334

IUPAC2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)co2)c(C)c1
InChIInChI=1S/C18H15N3O3S/c1-11-5-6-14(12(2)8-11)16-19-13(9-23-16)10-25-18-21-20-17(24-18)15-4-3-7-22-15/h3-9H,10H2,1-2H3
InChIKeyMSQPCPXVIGKXKQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.89
Rot. Bonds5

About 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole

2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 46552334) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID46552334
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)co2)c(C)c1
InChIInChI=1S/C18H15N3O3S/c1-11-5-6-14(12(2)8-11)16-19-13(9-23-16)10-25-18-21-20-17(24-18)15-4-3-7-22-15/h3-9H,10H2,1-2H3
InChIKeyMSQPCPXVIGKXKQ-UHFFFAOYSA-N
XLogP4.89
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole 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

2-(3,5-dimethylphenyl)-5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 24675164
2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 46552290
2-(2,4-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24675499
5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 24675304
2-(2,4-dimethylphenyl)-4-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 43052760
2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 51066084
2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 18197019
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 9345632
2-(2,4-dimethylphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-oxazole
CID 24675633
2-(4-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7816237
2-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 24670825
2-(3,5-dimethylphenyl)-5-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 32904752

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole (CID 46552334) is 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)o3)co2)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is MSQPCPXVIGKXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-11-5-6-14(12(2)8-11)16-19-13(9-23-16)10-25-18-21-20-17(24-18)15-4-3-7-22-15/h3-9H,10H2,1-2H3.
What are the key properties of 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole?
2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 353.40 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 46552334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).