2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole

C19H17N3O3S — CID 160830437

IUPAC2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Cc3nc4c(OC)cccc4s3)o2)c(C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-9-12(23-2)7-8-13(11)19-22-21-16(25-19)10-17-20-18-14(24-3)5-4-6-15(18)26-17/h4-9H,10H2,1-3H3
InChIKeyWQUSTQAVLOOFAQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.26
Rot. Bonds5

About 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole

2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 160830437) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole
PubChem CID160830437
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(Cc3nc4c(OC)cccc4s3)o2)c(C)c1
InChIInChI=1S/C19H17N3O3S/c1-11-9-12(23-2)7-8-13(11)19-22-21-16(25-19)10-17-20-18-14(24-3)5-4-6-15(18)26-17/h4-9H,10H2,1-3H3
InChIKeyWQUSTQAVLOOFAQ-UHFFFAOYSA-N
XLogP4.26
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(3-isocyano-4-methoxyphenyl)-5-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-1,3,4-oxadiazole
CID 159875924
4-methoxy-2-[[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-1,3-benzothiazole
CID 152873559
2,4-dimethoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652051
2-(chloromethyl)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 18070785
2-[(4-fluorophenyl)methyl]-5-(4-methoxy-2-methyl-1,3-benzothiazol-5-yl)-1,3,4-oxadiazole
CID 58763122
1-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62138105
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
N-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62138524
3-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319255
N-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62137383
3-methoxy-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105536
4-methoxy-N-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319256

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole (CID 160830437) is 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(Cc3nc4c(OC)cccc4s3)o2)c(C)c1.
What is the InChIKey of 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is WQUSTQAVLOOFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-9-12(23-2)7-8-13(11)19-22-21-16(25-19)10-17-20-18-14(24-3)5-4-6-15(18)26-17/h4-9H,10H2,1-3H3.
What are the key properties of 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole?
2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 367.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-1,3-benzothiazol-2-yl)methyl]-5-(4-methoxy-2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 160830437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).