2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C19H24ClN3O3S — CID 5307095

IUPAC2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCCN1CCCC1
InChIInChI=1S/C19H24ClN3O3S/c1-14-17(22-19(26-14)15-4-6-16(20)7-5-15)12-27(25)13-18(24)21-8-11-23-9-2-3-10-23/h4-7H,2-3,8-13H2,1H3,(H,21,24)
InChIKeyFKYHHKNLGIQSIX-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.76
Rot. Bonds8

About 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 5307095) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID5307095
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCCN1CCCC1
InChIInChI=1S/C19H24ClN3O3S/c1-14-17(22-19(26-14)15-4-6-16(20)7-5-15)12-27(25)13-18(24)21-8-11-23-9-2-3-10-23/h4-7H,2-3,8-13H2,1H3,(H,21,24)
InChIKeyFKYHHKNLGIQSIX-UHFFFAOYSA-N
XLogP2.76
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[2-(dipropylamino)ethyl]piperidine-4-carboxamide
CID 3240581
2-(4-chlorophenyl)-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 1486770
1-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 3235876
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}thio)acetamide
CID 3236439
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
N-{3-[cyclohexyl(methyl)amino]propyl}-2-({[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfonyl)acetamide
CID 3238711
2-(((2-(2-Chlorophenyl)-5-methyloxazol-4-yl)methyl)thio)-N-cyclopropylacetamide
CID 3239474
N-[2-(dipropylamino)ethyl]-2-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfinyl)acetamide
CID 3241591
2-(2-Chlorophenyl)-5-methyl-4-{[(2-oxo-2-pyrrolidin-1-ylethyl)thio]methyl}-1,3-oxazole
CID 3242681

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 5307095) is 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCCN1CCCC1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is FKYHHKNLGIQSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-14-17(22-19(26-14)15-4-6-16(20)7-5-15)12-27(25)13-18(24)21-8-11-23-9-2-3-10-23/h4-7H,2-3,8-13H2,1H3,(H,21,24).
What are the key properties of 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 409.94 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 5307095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).