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

C15H17N5O2S — CID 31398329

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)Cc2c(C)noc2C)sc1-c1nccn1C
InChIInChI=1S/C15H17N5O2S/c1-8-11(10(3)22-19-8)7-12(21)18-15-17-9(2)13(23-15)14-16-5-6-20(14)4/h5-6H,7H2,1-4H3,(H,17,18,21)
InChIKeyGXTYQFWEFKOBIV-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.64
Rot. Bonds4

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 31398329) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID31398329
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1nc(NC(=O)Cc2c(C)noc2C)sc1-c1nccn1C
InChIInChI=1S/C15H17N5O2S/c1-8-11(10(3)22-19-8)7-12(21)18-15-17-9(2)13(23-15)14-16-5-6-20(14)4/h5-6H,7H2,1-4H3,(H,17,18,21)
InChIKeyGXTYQFWEFKOBIV-UHFFFAOYSA-N
XLogP2.64
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide (CID 31398329) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is Cc1nc(NC(=O)Cc2c(C)noc2C)sc1-c1nccn1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GXTYQFWEFKOBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-8-11(10(3)22-19-8)7-12(21)18-15-17-9(2)13(23-15)14-16-5-6-20(14)4/h5-6H,7H2,1-4H3,(H,17,18,21).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 331.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 31398329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).