5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide

C12H17F3N4O2 — CID 120812395

IUPAC5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-8-10(18-7-21-8)11(20)17-6-9(12(13,14)15)19-4-2-16-3-5-19/h7,9,16H,2-6H2,1H3,(H,17,20)
InChIKeyHDBONPKZIBCIIN-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.55
Rot. Bonds4

About 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide

5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 120812395) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID120812395
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C12H17F3N4O2/c1-8-10(18-7-21-8)11(20)17-6-9(12(13,14)15)19-4-2-16-3-5-19/h7,9,16H,2-6H2,1H3,(H,17,20)
InChIKeyHDBONPKZIBCIIN-UHFFFAOYSA-N
XLogP0.55
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

"2,5-dimethyl-N-(2-morpholinoethyl)-1,3-oxazole-4-carboxamide"
CID 53195158
2,5-dimethyl-N-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 53195162
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195189
5-Methyl-N-[3-(morpholin-4-YL)propyl]-2-(propan-2-YL)-1,3-oxazole-4-carboxamide
CID 53195190
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
Methyl 2-[(5-methyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 75441942
5-methyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-1,3-oxazole-4-carboxamide
CID 118772730
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
5-methyl-N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)-1,3-oxazole-4-carboxamide
CID 132344982
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 136525273
[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 136580979
5-methyl-2-propan-2-yl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 164638791

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide (CID 120812395) is 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is HDBONPKZIBCIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-8-10(18-7-21-8)11(20)17-6-9(12(13,14)15)19-4-2-16-3-5-19/h7,9,16H,2-6H2,1H3,(H,17,20).
What are the key properties of 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide?
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 306.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 120812395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).