2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole

C16H12Cl2N4O2S — CID 133434167

IUPAC2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(Sc3cc(Cl)nc(C4CC4)n3)o2)cc1
InChIInChI=1S/C16H12Cl2N4O2S/c17-10-3-5-11(6-4-10)23-8-13-21-22-16(24-13)25-14-7-12(18)19-15(20-14)9-1-2-9/h3-7,9H,1-2,8H2
InChIKeyLSGLLUUPJWZNOB-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.77
Rot. Bonds6

About 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole

2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 133434167) has the molecular formula C16H12Cl2N4O2S and a molecular weight of 395.27 g/mol. Its IUPAC name is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID133434167
Molecular FormulaC16H12Cl2N4O2S
Molecular Weight395.27 g/mol
Exact Mass394.01
IUPAC Name2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1ccc(OCc2nnc(Sc3cc(Cl)nc(C4CC4)n3)o2)cc1
InChIInChI=1S/C16H12Cl2N4O2S/c17-10-3-5-11(6-4-10)23-8-13-21-22-16(24-13)25-14-7-12(18)19-15(20-14)9-1-2-9/h3-7,9H,1-2,8H2
InChIKeyLSGLLUUPJWZNOB-UHFFFAOYSA-N
XLogP4.77
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

3-chloro-6-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133331545
4-chloro-6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropylpyrimidine
CID 80951915
2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133427701
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-4-methyl-1,3-oxazole
CID 103525456
3-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 30173721
2-(4-chlorophenoxy)sulfanyl-5-[[4-(trifluoromethyl)phenoxy]methyl]-1,3,4-oxadiazole
CID 141471112
2-[(4-chlorophenoxy)methyl]-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 134093044
2-[1-(3-chloro-4-fluorophenyl)ethylsulfanyl]-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole
CID 60558751
2-[(4-chlorophenyl)methylsulfanyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,3,4-oxadiazole
CID 126012484
1-(azepan-1-yl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 3631317
5-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pentanenitrile
CID 112785931
1-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 78763812

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole (CID 133434167) is 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole is Clc1ccc(OCc2nnc(Sc3cc(Cl)nc(C4CC4)n3)o2)cc1.
What is the InChIKey of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is LSGLLUUPJWZNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O2S/c17-10-3-5-11(6-4-10)23-8-13-21-22-16(24-13)25-14-7-12(18)19-15(20-14)9-1-2-9/h3-7,9H,1-2,8H2.
What are the key properties of 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole?
2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 395.27 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-cyclopropylpyrimidin-4-yl)sulfanyl-5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133434167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).