hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane

C19H18N2O3S — CID 46937425

IUPAChydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane
SMILESCc1nnc(-c2ccc3occ(-c4ccc(S(C)(C)O)cc4)c3c2)o1
InChIInChI=1S/C19H18N2O3S/c1-12-20-21-19(24-12)14-6-9-18-16(10-14)17(11-23-18)13-4-7-15(8-5-13)25(2,3)22/h4-11,22H,1-3H3
InChIKeyQQJDYKSYVWMBKE-UHFFFAOYSA-N
MW354.43 g/mol
LogP5.35
Rot. Bonds3

About hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane

hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane (PubChem CID 46937425) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane.

Molecular Properties

Compound Namehydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane
PubChem CID46937425
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Namehydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane
SMILESCc1nnc(-c2ccc3occ(-c4ccc(S(C)(C)O)cc4)c3c2)o1
InChIInChI=1S/C19H18N2O3S/c1-12-20-21-19(24-12)14-6-9-18-16(10-14)17(11-23-18)13-4-7-15(8-5-13)25(2,3)22/h4-11,22H,1-3H3
InChIKeyQQJDYKSYVWMBKE-UHFFFAOYSA-N
XLogP5.35
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane?
The IUPAC name of hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane (CID 46937425) is hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane.
What is the SMILES notation for hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane?
The canonical SMILES for hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane is Cc1nnc(-c2ccc3occ(-c4ccc(S(C)(C)O)cc4)c3c2)o1.
What is the InChIKey of hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane?
The InChIKey is QQJDYKSYVWMBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-20-21-19(24-12)14-6-9-18-16(10-14)17(11-23-18)13-4-7-15(8-5-13)25(2,3)22/h4-11,22H,1-3H3.
What are the key properties of hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane?
hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane has a molecular weight of 354.43 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethyl-[4-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-3-yl]phenyl]-λ4-sulfane is sourced from PubChem (CID 46937425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).