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

C19H24ClN3O4S — CID 20876796

IUPAC2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NCCN1CCCC1
InChIInChI=1S/C19H24ClN3O4S/c1-14-17(22-19(27-14)15-5-4-6-16(20)11-15)12-28(25,26)13-18(24)21-7-10-23-8-2-3-9-23/h4-6,11H,2-3,7-10,12-13H2,1H3,(H,21,24)
InChIKeyMTJIPKIURVIOHX-UHFFFAOYSA-N
MW425.94 g/mol
LogP2.43
Rot. Bonds8

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

2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 20876796) has the molecular formula C19H24ClN3O4S and a molecular weight of 425.94 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID20876796
Molecular FormulaC19H24ClN3O4S
Molecular Weight425.94 g/mol
Exact Mass425.12
IUPAC Name2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NCCN1CCCC1
InChIInChI=1S/C19H24ClN3O4S/c1-14-17(22-19(27-14)15-5-4-6-16(20)11-15)12-28(25,26)13-18(24)21-7-10-23-8-2-3-9-23/h4-6,11H,2-3,7-10,12-13H2,1H3,(H,21,24)
InChIKeyMTJIPKIURVIOHX-UHFFFAOYSA-N
XLogP2.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 20876796) is 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is Cc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NCCN1CCCC1.
What is the InChIKey of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is MTJIPKIURVIOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4S/c1-14-17(22-19(27-14)15-5-4-6-16(20)11-15)12-28(25,26)13-18(24)21-7-10-23-8-2-3-9-23/h4-6,11H,2-3,7-10,12-13H2,1H3,(H,21,24).
What are the key properties of 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 425.94 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 20876796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).