N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

C21H29N3O2S — CID 3243283

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCCN1CCCC1CNC(=O)CSCc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C21H29N3O2S/c1-4-24-11-7-9-17(24)12-22-20(25)14-27-13-19-16(3)26-21(23-19)18-10-6-5-8-15(18)2/h5-6,8,10,17H,4,7,9,11-14H2,1-3H3,(H,22,25)
InChIKeyLVKFCSXXXKJJQI-UHFFFAOYSA-N
MW387.55 g/mol
LogP3.79
Rot. Bonds8

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (PubChem CID 3243283) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
PubChem CID3243283
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
SMILESCCN1CCCC1CNC(=O)CSCc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C21H29N3O2S/c1-4-24-11-7-9-17(24)12-22-20(25)14-27-13-19-16(3)26-21(23-19)18-10-6-5-8-15(18)2/h5-6,8,10,17H,4,7,9,11-14H2,1-3H3,(H,22,25)
InChIKeyLVKFCSXXXKJJQI-UHFFFAOYSA-N
XLogP3.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide (CID 3243283) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is CCN1CCCC1CNC(=O)CSCc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
The InChIKey is LVKFCSXXXKJJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-4-24-11-7-9-17(24)12-22-20(25)14-27-13-19-16(3)26-21(23-19)18-10-6-5-8-15(18)2/h5-6,8,10,17H,4,7,9,11-14H2,1-3H3,(H,22,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide has a molecular weight of 387.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 3243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).