2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide

C17H17N3O2S2 — CID 126458208

IUPAC2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CSCC(=O)NCc1cccnc1
InChIInChI=1S/C17H17N3O2S2/c1-12-14(20-17(22-12)15-5-3-7-24-15)10-23-11-16(21)19-9-13-4-2-6-18-8-13/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyDKKLXPOSVYWWQS-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.66
Rot. Bonds7

About 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide

2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 126458208) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID126458208
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CSCC(=O)NCc1cccnc1
InChIInChI=1S/C17H17N3O2S2/c1-12-14(20-17(22-12)15-5-3-7-24-15)10-23-11-16(21)19-9-13-4-2-6-18-8-13/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyDKKLXPOSVYWWQS-UHFFFAOYSA-N
XLogP3.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide (CID 126458208) is 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide is Cc1oc(-c2cccs2)nc1CSCC(=O)NCc1cccnc1.
What is the InChIKey of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DKKLXPOSVYWWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-12-14(20-17(22-12)15-5-3-7-24-15)10-23-11-16(21)19-9-13-4-2-6-18-8-13/h2-8H,9-11H2,1H3,(H,19,21).
What are the key properties of 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide?
2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 359.48 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 126458208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).