3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole

C14H10ClN5O2S — CID 134612648

IUPAC3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3c(Cl)nc4sc(C)nn34)no2)cc1
InChIInChI=1S/C14H10ClN5O2S/c1-7-18-20-10(11(15)16-14(20)23-7)12-17-13(22-19-12)8-3-5-9(21-2)6-4-8/h3-6H,1-2H3
InChIKeyBZDAVZVAGNIETG-UHFFFAOYSA-N
MW347.79 g/mol
LogP3.48
Rot. Bonds3

About 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole

3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 134612648) has the molecular formula C14H10ClN5O2S and a molecular weight of 347.79 g/mol. Its IUPAC name is 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID134612648
Molecular FormulaC14H10ClN5O2S
Molecular Weight347.79 g/mol
Exact Mass347.02
IUPAC Name3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3c(Cl)nc4sc(C)nn34)no2)cc1
InChIInChI=1S/C14H10ClN5O2S/c1-7-18-20-10(11(15)16-14(20)23-7)12-17-13(22-19-12)8-3-5-9(21-2)6-4-8/h3-6H,1-2H3
InChIKeyBZDAVZVAGNIETG-UHFFFAOYSA-N
XLogP3.48
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.79
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,6-difluorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 3620161
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-(4-methoxyphenyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718725
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 11290188
3-methoxy-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 10352930
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
3-[4-(4-methoxyphenyl)-2-pyrrol-1-ylthiophen-3-yl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 177401200
N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238000
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 134612648) is 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3c(Cl)nc4sc(C)nn34)no2)cc1.
What is the InChIKey of 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BZDAVZVAGNIETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O2S/c1-7-18-20-10(11(15)16-14(20)23-7)12-17-13(22-19-12)8-3-5-9(21-2)6-4-8/h3-6H,1-2H3.
What are the key properties of 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole?
3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 347.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 134612648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).