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

C18H25N5O2 — CID 111184436

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1nc(C)c(C)o1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H25N5O2/c1-13-14(2)25-17(21-13)12-20-18(19-3)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24/h4-7,24H,8-12H2,1-3H3,(H,19,20)
InChIKeyAILWDSPTHYUNKP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.89
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111184436) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111184436
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCc1nc(C)c(C)o1)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C18H25N5O2/c1-13-14(2)25-17(21-13)12-20-18(19-3)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24/h4-7,24H,8-12H2,1-3H3,(H,19,20)
InChIKeyAILWDSPTHYUNKP-UHFFFAOYSA-N
XLogP1.89
TPSA77.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-(2-hydroxyphenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111185555
4-(3-chlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186736
4-(2-hydroxyphenyl)-N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111184883
N-[(4-bromophenyl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111977341
N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethyl-4-(2-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111148720
4-(2-hydroxyphenyl)-N'-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111184794
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide
CID 111143968
4-(2-fluorophenyl)-N'-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111148870
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153219
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111740072
N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184772
4-(2-hydroxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185443

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide (CID 111184436) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NCc1nc(C)c(C)o1)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is AILWDSPTHYUNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-14(2)25-17(21-13)12-20-18(19-3)23-10-8-22(9-11-23)15-6-4-5-7-16(15)24/h4-7,24H,8-12H2,1-3H3,(H,19,20).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 343.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111184436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).