2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

C12H15N3O3S — CID 92554059

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CSc2nc(C)c(C)o2)on1
InChIInChI=1S/C12H15N3O3S/c1-7-4-10(18-15-7)5-13-11(16)6-19-12-14-8(2)9(3)17-12/h4H,5-6H2,1-3H3,(H,13,16)
InChIKeySJQYUAJHXUIQKA-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.00
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 92554059) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID92554059
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)CSc2nc(C)c(C)o2)on1
InChIInChI=1S/C12H15N3O3S/c1-7-4-10(18-15-7)5-13-11(16)6-19-12-14-8(2)9(3)17-12/h4H,5-6H2,1-3H3,(H,13,16)
InChIKeySJQYUAJHXUIQKA-UHFFFAOYSA-N
XLogP2.00
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 92554059) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is Cc1cc(CNC(=O)CSc2nc(C)c(C)o2)on1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is SJQYUAJHXUIQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-7-4-10(18-15-7)5-13-11(16)6-19-12-14-8(2)9(3)17-12/h4H,5-6H2,1-3H3,(H,13,16).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 281.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 92554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).