2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

C19H27N3O2S — CID 25163211

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CSCc2c(C)noc2C)cc1)C(C)C
InChIInChI=1S/C19H27N3O2S/c1-6-22(13(2)3)17-9-7-16(8-10-17)20-19(23)12-25-11-18-14(4)21-24-15(18)5/h7-10,13H,6,11-12H2,1-5H3,(H,20,23)
InChIKeyHXNDTKLGUDTOGK-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.40
Rot. Bonds8

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 25163211) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID25163211
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)CSCc2c(C)noc2C)cc1)C(C)C
InChIInChI=1S/C19H27N3O2S/c1-6-22(13(2)3)17-9-7-16(8-10-17)20-19(23)12-25-11-18-14(4)21-24-15(18)5/h7-10,13H,6,11-12H2,1-5H3,(H,20,23)
InChIKeyHXNDTKLGUDTOGK-UHFFFAOYSA-N
XLogP4.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 25163211) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(NC(=O)CSCc2c(C)noc2C)cc1)C(C)C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is HXNDTKLGUDTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-6-22(13(2)3)17-9-7-16(8-10-17)20-19(23)12-25-11-18-14(4)21-24-15(18)5/h7-10,13H,6,11-12H2,1-5H3,(H,20,23).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 361.51 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 25163211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).