N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide

C18H24FN5O — CID 119130311

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1c(C)noc1C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN5O/c1-13-17(14(2)25-22-13)12-21-18(20-3)24-10-8-23(9-11-24)16-6-4-15(19)5-7-16/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKeyHRBYYVVMQRFELV-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.33
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 119130311) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID119130311
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1c(C)noc1C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN5O/c1-13-17(14(2)25-22-13)12-21-18(20-3)24-10-8-23(9-11-24)16-6-4-15(19)5-7-16/h4-7H,8-12H2,1-3H3,(H,20,21)
InChIKeyHRBYYVVMQRFELV-UHFFFAOYSA-N
XLogP2.33
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.33
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'}

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide 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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114629
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119120524
4-(4-fluorophenyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 111165836
4-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N'-methylpiperazine-1-carboximidamide
CID 111165687
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7494471
2-[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-phenylacetamide
CID 111165421
4-(2,5-difluorophenyl)-N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 109451505
4-(4-fluorophenyl)-N'-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 111165499
4-(4-fluorophenyl)-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111165022
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 119159491
4-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 126892942
N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110962137

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide (CID 119130311) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NCc1c(C)noc1C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is HRBYYVVMQRFELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-13-17(14(2)25-22-13)12-21-18(20-3)24-10-8-23(9-11-24)16-6-4-15(19)5-7-16/h4-7H,8-12H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 345.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 119130311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).