2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone

C17H19ClN2O2S — CID 3242681

IUPAC2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1
InChIInChI=1S/C17H19ClN2O2S/c1-12-15(10-23-11-16(21)20-8-4-5-9-20)19-17(22-12)13-6-2-3-7-14(13)18/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyGWNAZDWZWCHGQC-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.16
Rot. Bonds5

About 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone

2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 3242681) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID3242681
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC Name2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone
SMILESCc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1
InChIInChI=1S/C17H19ClN2O2S/c1-12-15(10-23-11-16(21)20-8-4-5-9-20)19-17(22-12)13-6-2-3-7-14(13)18/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyGWNAZDWZWCHGQC-UHFFFAOYSA-N
XLogP4.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
1-[4-(3-Chlorophenyl)piperazin-1-YL]-2-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methanesulfinyl}ethan-1-one
CID 16007920
4-[({[5-Methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetyl]morpholine
CID 3235915
2-({[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3236658
2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)-N-(3-morpholin-4-ylpropyl)acetamide
CID 3237115
2-[[5-Methyl-2-[4-(methylthio)phenyl]-4-oxazolyl]methylthio]-1-(4-morpholinyl)ethanone
CID 3238837
2-(((2-(2-Chlorophenyl)-5-methyloxazol-4-yl)methyl)thio)-N-cyclopropylacetamide
CID 3239474
Ethyl 4-[({[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}thio)acetyl]piperazine-1-carboxylate
CID 3240987
N-[2-(dipropylamino)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide
CID 3241591
N-[2-(diethylamino)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide
CID 3243327
5-Methyl-2-(4-methylphenyl)-4-{[(2-oxo-2-pyrrolidin-1-ylethyl)thio]methyl}-1,3-oxazole
CID 3243729
N-(2-methoxyethyl)-2-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 3245395

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone (CID 3242681) is 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone is Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is GWNAZDWZWCHGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-12-15(10-23-11-16(21)20-8-4-5-9-20)19-17(22-12)13-6-2-3-7-14(13)18/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone?
2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 350.87 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3242681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).