N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide

C15H19N5O — CID 123279808

IUPACN'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCCC1c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H19N5O/c1-10-5-7-11(8-6-10)13-18-14(21-19-13)12-4-3-9-20(12)15(16)17-2/h5-8,12H,3-4,9H2,1-2H3,(H2,16,17)
InChIKeyBABIKRAILVNMFU-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds2

About N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide

N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide (PubChem CID 123279808) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
PubChem CID123279808
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide
SMILESC/N=C(\N)N1CCCC1c1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C15H19N5O/c1-10-5-7-11(8-6-10)13-18-14(21-19-13)12-4-3-9-20(12)15(16)17-2/h5-8,12H,3-4,9H2,1-2H3,(H2,16,17)
InChIKeyBABIKRAILVNMFU-UHFFFAOYSA-N
XLogP2.13
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
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

cyclopropyl-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3364840
tert-butyl (2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 98041835
tert-butyl (2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylate
CID 98041834
[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 7271165
N-cyclohexyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 4532643
(4-ethylphenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4302063
1-[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 813005
(2-fluorophenyl)-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 92956297
(3-chlorophenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 5040853
1-adamantyl-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 93100921
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 42765290
1-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 4222127

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide (CID 123279808) is N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide is C/N=C(\N)N1CCCC1c1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
The InChIKey is BABIKRAILVNMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-5-7-11(8-6-10)13-18-14(21-19-13)12-4-3-9-20(12)15(16)17-2/h5-8,12H,3-4,9H2,1-2H3,(H2,16,17).
What are the key properties of N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide?
N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 123279808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).