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

C13H19F3N4O2 — CID 120813641

IUPAC2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1
InChIInChI=1S/C13H19F3N4O2/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)
InChIKeyQNCOCBWICRSOHK-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.86
Rot. Bonds4

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

2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide (PubChem CID 120813641) has the molecular formula C13H19F3N4O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
PubChem CID120813641
Molecular FormulaC13H19F3N4O2
Molecular Weight320.32 g/mol
Exact Mass320.15
IUPAC Name2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1
InChIInChI=1S/C13H19F3N4O2/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)
InChIKeyQNCOCBWICRSOHK-UHFFFAOYSA-N
XLogP0.86
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-Dimethyl-1,3-oxazol-5-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 71926645
(2,4-Dimethyl-1,3-oxazol-5-yl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 75423546
1-[4-(2,4-Dimethyl-1,3-oxazole-5-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 75423554
"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
(4S)-4-{[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]amino}-N-ethyl-1-(tetrahydro-2H-pyran-4-yl)-L-prolinamide
CID 74230533
(3S)-1-[(2,4-dimethyl-1,3-oxazol-5-yl)carbonyl]-N,N-dimethylazepan-3-amine
CID 70774249
tert-butyl N-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-methylamino]ethyl]-N-methylcarbamate
CID 75438797
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

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?
The IUPAC name of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide (CID 120813641) is 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)o1.
What is the InChIKey of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide?
The InChIKey is QNCOCBWICRSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2/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).
What are the key properties of 2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-5-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 0.86, 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 is sourced from PubChem (CID 120813641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).