2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride

C13H20ClF3N4O2 — CID 120813640

IUPAC2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl
InChIInChI=1S/C13H19F3N4O2.ClH/c1-8-11(22-9(2)19-8)12(21)18-7-10(13(14,15)16)20-5-3-17-4-6-20;/h10,17H,3-7H2,1-2H3,(H,18,21);1H
InChIKeyLBTOINVGWXOWJZ-UHFFFAOYSA-N
MW356.78 g/mol
LogP1.28
Rot. Bonds4

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

2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride (PubChem CID 120813640) has the molecular formula C13H20ClF3N4O2 and a molecular weight of 356.78 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride
PubChem CID120813640
Molecular FormulaC13H20ClF3N4O2
Molecular Weight356.78 g/mol
Exact Mass356.12
IUPAC Name2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride
SMILESCc1nc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl
InChIInChI=1S/C13H19F3N4O2.ClH/c1-8-11(22-9(2)19-8)12(21)18-7-10(13(14,15)16)20-5-3-17-4-6-20;/h10,17H,3-7H2,1-2H3,(H,18,21);1H
InChIKeyLBTOINVGWXOWJZ-UHFFFAOYSA-N
XLogP1.28
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
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
2,4-dimethyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 77084474
2,4-dimethyl-N-(2-piperidin-1-ylethyl)-1,3-oxazole-5-carboxamide
CID 77092028
Ethyl 4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}piperidine-1-carboxylate
CID 77094000
N-cyclopentyl-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026185
2-ethyl-4-methyl-N-[(3S)-oxolan-3-yl]-1,3-oxazole-5-carboxamide
CID 95132413
2-ethyl-4-methyl-N-[(2S)-2-propoxypropyl]-1,3-oxazole-5-carboxamide
CID 97922796
2,4-dimethyl-N-[(1-pent-2-yn-1-ylpiperidin-4-yl)methyl]-1,3-oxazole-5-carboxamide formate
CID 131904082
2,4-dimethyl-N-[[(3R)-1-pent-2-ynylpiperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 164630940

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride?
The IUPAC name of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride (CID 120813640) is 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride?
The canonical SMILES for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride is Cc1nc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1.Cl.
What is the InChIKey of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride?
The InChIKey is LBTOINVGWXOWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2.ClH/c1-8-11(22-9(2)19-8)12(21)18-7-10(13(14,15)16)20-5-3-17-4-6-20;/h10,17H,3-7H2,1-2H3,(H,18,21);1H.
What are the key properties of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride?
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride has a molecular weight of 356.78 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).