2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole

C14H11ClN2O3S — CID 53238370

IUPAC2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)cn3)nc2c1
InChIInChI=1S/C14H11ClN2O3S/c1-2-21(18,19)10-4-6-13-12(7-10)17-14(20-13)11-5-3-9(15)8-16-11/h3-8H,2H2,1H3
InChIKeyVLLNORRHANBPIY-UHFFFAOYSA-N
MW322.77 g/mol
LogP3.34
Rot. Bonds3

About 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole

2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole (PubChem CID 53238370) has the molecular formula C14H11ClN2O3S and a molecular weight of 322.77 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole
PubChem CID53238370
Molecular FormulaC14H11ClN2O3S
Molecular Weight322.77 g/mol
Exact Mass322.02
IUPAC Name2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)cn3)nc2c1
InChIInChI=1S/C14H11ClN2O3S/c1-2-21(18,19)10-4-6-13-12(7-10)17-14(20-13)11-5-3-9(15)8-16-11/h3-8H,2H2,1H3
InChIKeyVLLNORRHANBPIY-UHFFFAOYSA-N
XLogP3.34
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.77
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxazosulfyl
CID 90258515
5-Chloro-2-pyridin-2-yl-benzooxazole
CID 650806
2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzooxazole
CID 589412
2-(4-Chlorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
CID 24970899
Ethyl 2-propyl-1,3-benzoxazol-5-yl sulfone
CID 16413041
2-(2-Chlorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
CID 24970903
5-Ethylsulfonyl-2-isoquinolin-3-yl-1,3-benzoxazole
CID 25212336
2-(3-Chlorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
CID 53238368
2-(3-Chloro-2-fluorophenyl)-5-ethylsulfonyl-1,3-benzoxazole
CID 53238594
2-(4-Chlorophenyl)-5-propylsulfonyl-1,3-benzoxazole
CID 53238823
2-(4-Chlorophenyl)-5-methylsulfonyl-1,3-benzoxazole
CID 53238824
2-(4-Chlorophenyl)-5-propan-2-ylsulfonyl-1,3-benzoxazole
CID 53238825

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole (CID 53238370) is 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole is CCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)cn3)nc2c1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole?
The InChIKey is VLLNORRHANBPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3S/c1-2-21(18,19)10-4-6-13-12(7-10)17-14(20-13)11-5-3-9(15)8-16-11/h3-8H,2H2,1H3.
What are the key properties of 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole?
2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole has a molecular weight of 322.77 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5-ethylsulfonyl-1,3-benzoxazole is sourced from PubChem (CID 53238370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).