N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide

C12H13N3O — CID 63176850

IUPACN'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide
SMILESCc1cc(C/N=C(\N)c2ccccc2)no1
InChIInChI=1S/C12H13N3O/c1-9-7-11(15-16-9)8-14-12(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14)
InChIKeyFKMDJRCHSWJZHU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.89
Rot. Bonds3

About N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide

N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide (PubChem CID 63176850) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide
PubChem CID63176850
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide
SMILESCc1cc(C/N=C(\N)c2ccccc2)no1
InChIInChI=1S/C12H13N3O/c1-9-7-11(15-16-9)8-14-12(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14)
InChIKeyFKMDJRCHSWJZHU-UHFFFAOYSA-N
XLogP1.89
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide (CID 63176850) is N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide is Cc1cc(C/N=C(\N)c2ccccc2)no1.
What is the InChIKey of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide?
The InChIKey is FKMDJRCHSWJZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-7-11(15-16-9)8-14-12(13)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14).
What are the key properties of N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide?
N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide has a molecular weight of 215.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63176850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).