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

C16H16N4O2S — CID 122140523

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2csc(-c3ccccn3)n2)o1
InChIInChI=1S/C16H16N4O2S/c1-10-14(22-11(2)19-10)8-18-15(21)7-12-9-23-16(20-12)13-5-3-4-6-17-13/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyTXIFTDMYNSLQGY-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.67
Rot. Bonds5

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

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 122140523) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID122140523
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(C)c(CNC(=O)Cc2csc(-c3ccccn3)n2)o1
InChIInChI=1S/C16H16N4O2S/c1-10-14(22-11(2)19-10)8-18-15(21)7-12-9-23-16(20-12)13-5-3-4-6-17-13/h3-6,9H,7-8H2,1-2H3,(H,18,21)
InChIKeyTXIFTDMYNSLQGY-UHFFFAOYSA-N
XLogP2.67
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide (CID 122140523) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is Cc1nc(C)c(CNC(=O)Cc2csc(-c3ccccn3)n2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is TXIFTDMYNSLQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-14(22-11(2)19-10)8-18-15(21)7-12-9-23-16(20-12)13-5-3-4-6-17-13/h3-6,9H,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 122140523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).