3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide

C13H14ClN3O2 — CID 52527081

IUPAC3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide
SMILESCc1nc(CO/N=C(\N)c2cccc(Cl)c2)oc1C
InChIInChI=1S/C13H14ClN3O2/c1-8-9(2)19-12(16-8)7-18-17-13(15)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H2,15,17)
InChIKeyCUUCUDQWFQEQEC-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.78
Rot. Bonds4

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

3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide (PubChem CID 52527081) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide
PubChem CID52527081
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide
SMILESCc1nc(CO/N=C(\N)c2cccc(Cl)c2)oc1C
InChIInChI=1S/C13H14ClN3O2/c1-8-9(2)19-12(16-8)7-18-17-13(15)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H2,15,17)
InChIKeyCUUCUDQWFQEQEC-UHFFFAOYSA-N
XLogP2.78
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.78
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methoxy]benzenecarboximidamide
CID 126801216
2-[1-(3-chlorophenyl)ethylsulfinylmethyl]-4,5-dimethyl-1,3-oxazole
CID 75502300
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(3-fluorophenyl)acetamide
CID 51228433
3-chloro-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzamide
CID 25218348
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 47821720
4-chloro-N'-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzenecarboximidamide
CID 24608900
3-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 106372305
N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzenecarboximidamide
CID 95935306
1-(3-chlorophenyl)-N-[(5-chlorothiophen-2-yl)methoxy]ethanimine
CID 141141529
2-(3-chlorophenyl)-2-methoxyiminoethanol
CID 54343986
(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
CID 89317369
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 116620548

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide (CID 52527081) is 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide is Cc1nc(CO/N=C(\N)c2cccc(Cl)c2)oc1C.
What is the InChIKey of 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide?
The InChIKey is CUUCUDQWFQEQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-8-9(2)19-12(16-8)7-18-17-13(15)10-4-3-5-11(14)6-10/h3-6H,7H2,1-2H3,(H2,15,17).
What are the key properties of 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide?
3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide has a molecular weight of 279.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-[(4,5-dimethyl-1,3-oxazol-2-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 52527081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).