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

C14H19N5O2S — CID 75369832

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3nccs3)C(C)C2)on1
InChIInChI=1S/C14H19N5O2S/c1-10-7-13(21-17-10)16-12(20)9-18-4-5-19(11(2)8-18)14-15-3-6-22-14/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,20)
InChIKeyRVAHPTCNCOQFPA-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.59
Rot. Bonds4

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

N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (PubChem CID 75369832) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
PubChem CID75369832
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3nccs3)C(C)C2)on1
InChIInChI=1S/C14H19N5O2S/c1-10-7-13(21-17-10)16-12(20)9-18-4-5-19(11(2)8-18)14-15-3-6-22-14/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,20)
InChIKeyRVAHPTCNCOQFPA-UHFFFAOYSA-N
XLogP1.59
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide (CID 75369832) is N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(c3nccs3)C(C)C2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
The InChIKey is RVAHPTCNCOQFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-7-13(21-17-10)16-12(20)9-18-4-5-19(11(2)8-18)14-15-3-6-22-14/h3,6-7,11H,4-5,8-9H2,1-2H3,(H,16,20).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide has a molecular weight of 321.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75369832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).