3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole

C13H14ClNO2S — CID 78860934

IUPAC3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSCCOc2ccccc2Cl)no1
InChIInChI=1S/C13H14ClNO2S/c1-10-8-11(15-17-10)9-18-7-6-16-13-5-3-2-4-12(13)14/h2-5,8H,6-7,9H2,1H3
InChIKeyYOUGEQGAMUCUMH-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.95
Rot. Bonds6

About 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole

3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole (PubChem CID 78860934) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
PubChem CID78860934
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CSCCOc2ccccc2Cl)no1
InChIInChI=1S/C13H14ClNO2S/c1-10-8-11(15-17-10)9-18-7-6-16-13-5-3-2-4-12(13)14/h2-5,8H,6-7,9H2,1H3
InChIKeyYOUGEQGAMUCUMH-UHFFFAOYSA-N
XLogP3.95
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86902100
5-methyl-3-(2-pyridin-2-ylethylsulfanylmethyl)-1,2-oxazole
CID 78860958
3-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 43304882
1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66218937
3-[(2,5-dichlorophenoxy)methyl]-5-methyl-1,2-oxazole
CID 78807744
3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-methylaniline
CID 79140785
6-(3-chloro-2-methylphenyl)-4-N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]pyrimidine-2,4-diamine
CID 118559455
5-methyl-3-[(4-methylphenyl)methylsulfanylmethyl]-1,2-oxazole
CID 78848421
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
6-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-sulfonamide
CID 30659159
3-[[4-[2-(2,5-dichlorophenoxy)ethyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 112796498
3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzoic acid
CID 45293842

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole (CID 78860934) is 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole is Cc1cc(CSCCOc2ccccc2Cl)no1.
What is the InChIKey of 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
The InChIKey is YOUGEQGAMUCUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-10-8-11(15-17-10)9-18-7-6-16-13-5-3-2-4-12(13)14/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole?
3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole has a molecular weight of 283.78 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenoxy)ethylsulfanylmethyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 78860934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).