6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole

C15H10ClN3O2S2 — CID 55640401

IUPAC6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
SMILESCC(Sc1nc2ccc(Cl)cc2o1)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H10ClN3O2S2/c1-8(14-18-13(19-21-14)12-3-2-6-22-12)23-15-17-10-5-4-9(16)7-11(10)20-15/h2-8H,1H3
InChIKeyNSANCDACCPLTML-UHFFFAOYSA-N
MW363.85 g/mol
LogP5.45
Rot. Bonds4

About 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole

6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole (PubChem CID 55640401) has the molecular formula C15H10ClN3O2S2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
PubChem CID55640401
Molecular FormulaC15H10ClN3O2S2
Molecular Weight363.85 g/mol
Exact Mass362.99
IUPAC Name6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
SMILESCC(Sc1nc2ccc(Cl)cc2o1)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H10ClN3O2S2/c1-8(14-18-13(19-21-14)12-3-2-6-22-12)23-15-17-10-5-4-9(16)7-11(10)20-15/h2-8H,1H3
InChIKeyNSANCDACCPLTML-UHFFFAOYSA-N
XLogP5.45
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.85
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole with MolForge

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Launch Full Analysis

Related Compounds

5-[(1R)-1-(4-methoxyphenyl)sulfanylethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33298119
5-[(1S)-1-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 33291063
2-(1,3-benzodioxol-5-yl)-5-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-oxadiazole
CID 55593098
(1S)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 40800258
2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole
CID 75869002
6-(4-chlorophenyl)-2-thiophen-2-yl-1,3-benzoxazole
CID 170716706
2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46544298
6-bromo-3-ethyl-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 55589888
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 60752359
(2R)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]propanamide
CID 7963456
5-[1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 134005593
3-thiophen-2-yl-5-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 33273449

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole (CID 55640401) is 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole is CC(Sc1nc2ccc(Cl)cc2o1)c1nc(-c2cccs2)no1.
What is the InChIKey of 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
The InChIKey is NSANCDACCPLTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2S2/c1-8(14-18-13(19-21-14)12-3-2-6-22-12)23-15-17-10-5-4-9(16)7-11(10)20-15/h2-8H,1H3.
What are the key properties of 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole?
6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole has a molecular weight of 363.85 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 55640401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).