2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide

C11H12ClN3O — CID 169367566

IUPAC2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1C1=NCCO1
InChIInChI=1S/C11H12ClN3O/c12-7-10(13)15-9-4-2-1-3-8(9)11-14-5-6-16-11/h1-4H,5-7H2,(H2,13,15)
InChIKeyRKMTWGBIOSWFOH-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.69
Rot. Bonds3

About 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide

2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide (PubChem CID 169367566) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide
PubChem CID169367566
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1C1=NCCO1
InChIInChI=1S/C11H12ClN3O/c12-7-10(13)15-9-4-2-1-3-8(9)11-14-5-6-16-11/h1-4H,5-7H2,(H2,13,15)
InChIKeyRKMTWGBIOSWFOH-UHFFFAOYSA-N
XLogP1.69
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide (CID 169367566) is 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccccc1C1=NCCO1.
What is the InChIKey of 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide?
The InChIKey is RKMTWGBIOSWFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-7-10(13)15-9-4-2-1-3-8(9)11-14-5-6-16-11/h1-4H,5-7H2,(H2,13,15).
What are the key properties of 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide?
2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide has a molecular weight of 237.69 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169367566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).