2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole

C17H12ClN3O3S — CID 33289299

IUPAC2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(SCc2coc(-c3cccc(Cl)c3)n2)o1
InChIInChI=1S/C17H12ClN3O3S/c1-10-14(5-6-22-10)16-20-21-17(24-16)25-9-13-8-23-15(19-13)11-3-2-4-12(18)7-11/h2-8H,9H2,1H3
InChIKeyKCTZNODJPOXJLD-UHFFFAOYSA-N
MW373.82 g/mol
LogP5.24
Rot. Bonds5

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

2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (PubChem CID 33289299) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
PubChem CID33289299
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC Name2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
SMILESCc1occc1-c1nnc(SCc2coc(-c3cccc(Cl)c3)n2)o1
InChIInChI=1S/C17H12ClN3O3S/c1-10-14(5-6-22-10)16-20-21-17(24-16)25-9-13-8-23-15(19-13)11-3-2-4-12(18)7-11/h2-8H,9H2,1H3
InChIKeyKCTZNODJPOXJLD-UHFFFAOYSA-N
XLogP5.24
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3-benzoxazole
CID 33275835
2-(2-methylfuran-3-yl)-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 16611496
7-chloro-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51216785
2-(2-methoxyphenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42988977
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 8522043
2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33301306
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 9404976
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 33278855
2-(3-fluorophenyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 33287348
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593533
N-[2-(3-chlorophenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9404935
2-(3-chlorophenyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 7534146

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole (CID 33289299) is 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is Cc1occc1-c1nnc(SCc2coc(-c3cccc(Cl)c3)n2)o1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
The InChIKey is KCTZNODJPOXJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c1-10-14(5-6-22-10)16-20-21-17(24-16)25-9-13-8-23-15(19-13)11-3-2-4-12(18)7-11/h2-8H,9H2,1H3.
What are the key properties of 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole?
2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole has a molecular weight of 373.82 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 33289299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).