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

C15H17F3N6O2 — CID 36627980

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3nccc(C(F)(F)F)n3)CC2)no1
InChIInChI=1S/C15H17F3N6O2/c1-10-8-12(22-26-10)21-13(25)9-23-4-6-24(7-5-23)14-19-3-2-11(20-14)15(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,21,22,25)
InChIKeyUMNBXDDBQNCBEC-UHFFFAOYSA-N
MW370.34 g/mol
LogP1.55
Rot. Bonds4

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (PubChem CID 36627980) has the molecular formula C15H17F3N6O2 and a molecular weight of 370.34 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
PubChem CID36627980
Molecular FormulaC15H17F3N6O2
Molecular Weight370.34 g/mol
Exact Mass370.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(c3nccc(C(F)(F)F)n3)CC2)no1
InChIInChI=1S/C15H17F3N6O2/c1-10-8-12(22-26-10)21-13(25)9-23-4-6-24(7-5-23)14-19-3-2-11(20-14)15(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,21,22,25)
InChIKeyUMNBXDDBQNCBEC-UHFFFAOYSA-N
XLogP1.55
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
CID 31536285
5-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47075099
2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 131960468
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302195
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2530022
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 26383061
3-methyl-N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47089197
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60520975
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperazin-1-yl]acetamide
CID 24608512

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (CID 36627980) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(c3nccc(C(F)(F)F)n3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
The InChIKey is UMNBXDDBQNCBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O2/c1-10-8-12(22-26-10)21-13(25)9-23-4-6-24(7-5-23)14-19-3-2-11(20-14)15(16,17)18/h2-3,8H,4-7,9H2,1H3,(H,21,22,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 370.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 36627980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).