2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole

C14H16ClNO2S — CID 75502300

IUPAC2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CS(=O)C(C)c2cccc(Cl)c2)oc1C
InChIInChI=1S/C14H16ClNO2S/c1-9-10(2)18-14(16-9)8-19(17)11(3)12-5-4-6-13(15)7-12/h4-7,11H,8H2,1-3H3
InChIKeyPDQGVGLLSAATQU-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.95
Rot. Bonds4

About 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole

2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 75502300) has the molecular formula C14H16ClNO2S and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
PubChem CID75502300
Molecular FormulaC14H16ClNO2S
Molecular Weight297.81 g/mol
Exact Mass297.06
IUPAC Name2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CS(=O)C(C)c2cccc(Cl)c2)oc1C
InChIInChI=1S/C14H16ClNO2S/c1-9-10(2)18-14(16-9)8-19(17)11(3)12-5-4-6-13(15)7-12/h4-7,11H,8H2,1-3H3
InChIKeyPDQGVGLLSAATQU-UHFFFAOYSA-N
XLogP3.95
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
CID 75502277
3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide
CID 52527081
1-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 109428530
4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79527797
4-[[(S)-(3-chlorophenyl)sulfinyl]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 97313225
5-(chloromethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957675
5-(2-chloroethyl)-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106957184
1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
CID 56824757
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 116620548
1-(2-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54964828
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 46480430
(3-chlorophenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63555430

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole (CID 75502300) is 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CS(=O)C(C)c2cccc(Cl)c2)oc1C.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is PDQGVGLLSAATQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2S/c1-9-10(2)18-14(16-9)8-19(17)11(3)12-5-4-6-13(15)7-12/h4-7,11H,8H2,1-3H3.
What are the key properties of 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole?
2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 297.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 75502300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).