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

C13H18N4O2S — CID 60767300

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCc1cn[nH]c1C
InChIInChI=1S/C13H18N4O2S/c1-8-11(5-15-16-8)4-14-13(18)7-20-6-12-9(2)17-19-10(12)3/h5H,4,6-7H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyBVZGYLNHWDYWAA-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.87
Rot. Bonds6

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 60767300) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID60767300
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1noc(C)c1CSCC(=O)NCc1cn[nH]c1C
InChIInChI=1S/C13H18N4O2S/c1-8-11(5-15-16-8)4-14-13(18)7-20-6-12-9(2)17-19-10(12)3/h5H,4,6-7H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyBVZGYLNHWDYWAA-UHFFFAOYSA-N
XLogP1.87
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
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-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 60767300) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1noc(C)c1CSCC(=O)NCc1cn[nH]c1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is BVZGYLNHWDYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-11(5-15-16-8)4-14-13(18)7-20-6-12-9(2)17-19-10(12)3/h5H,4,6-7H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 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-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 60767300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).