N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C17H28F3N5O — CID 109378127

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)c1c(C)noc1C)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N5O/c1-11(15-12(2)23-26-13(15)3)10-22-16(21-5)25-8-6-24(7-9-25)14(4)17(18,19)20/h11,14H,6-10H2,1-5H3,(H,21,22)
InChIKeyIRAIJAWNRNLXMH-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109378127) has the molecular formula C17H28F3N5O and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109378127
Molecular FormulaC17H28F3N5O
Molecular Weight375.44 g/mol
Exact Mass375.22
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC(C)c1c(C)noc1C)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C17H28F3N5O/c1-11(15-12(2)23-26-13(15)3)10-22-16(21-5)25-8-6-24(7-9-25)14(4)17(18,19)20/h11,14H,6-10H2,1-5H3,(H,21,22)
InChIKeyIRAIJAWNRNLXMH-UHFFFAOYSA-N
XLogP2.54
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(3-methylbutyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377596
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378162
(3S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97240484
N-(2-methoxy-3,3-dimethylbutyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376992
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378669
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109379228
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378964
N'-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378933
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378565
N'-methyl-N-[(3-methylphenyl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376581
N'-methyl-4-(1,1,1-trifluoropropan-2-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 109376640
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109379227

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109378127) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCC(C)c1c(C)noc1C)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is IRAIJAWNRNLXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N5O/c1-11(15-12(2)23-26-13(15)3)10-22-16(21-5)25-8-6-24(7-9-25)14(4)17(18,19)20/h11,14H,6-10H2,1-5H3,(H,21,22).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 375.44 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109378127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).