N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide

C12H13N3O — CID 121010698

IUPACN'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide
SMILESCc1nc(/N=C(\N)c2ccccc2)oc1C
InChIInChI=1S/C12H13N3O/c1-8-9(2)16-12(14-8)15-11(13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyLSLNCTUNESMKJU-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.33
Rot. Bonds2

About N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide

N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide (PubChem CID 121010698) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide
PubChem CID121010698
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide
SMILESCc1nc(/N=C(\N)c2ccccc2)oc1C
InChIInChI=1S/C12H13N3O/c1-8-9(2)16-12(14-8)15-11(13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyLSLNCTUNESMKJU-UHFFFAOYSA-N
XLogP2.33
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.33
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'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide?
The IUPAC name of N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide (CID 121010698) is N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide?
The canonical SMILES for N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide is Cc1nc(/N=C(\N)c2ccccc2)oc1C.
What is the InChIKey of N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide?
The InChIKey is LSLNCTUNESMKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8-9(2)16-12(14-8)15-11(13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide?
N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide has a molecular weight of 215.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-1,3-oxazol-2-yl)benzenecarboximidamide is sourced from PubChem (CID 121010698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).