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

C11H10ClN3O — CID 169368969

IUPAC2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1-c1ncco1
InChIInChI=1S/C11H10ClN3O/c12-7-10(13)15-9-4-2-1-3-8(9)11-14-5-6-16-11/h1-6H,7H2,(H2,13,15)
InChIKeyYHKZKGCDQKJKKA-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.57
Rot. Bonds3

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

2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide (PubChem CID 169368969) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide
PubChem CID169368969
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccccc1-c1ncco1
InChIInChI=1S/C11H10ClN3O/c12-7-10(13)15-9-4-2-1-3-8(9)11-14-5-6-16-11/h1-6H,7H2,(H2,13,15)
InChIKeyYHKZKGCDQKJKKA-UHFFFAOYSA-N
XLogP2.57
TPSA64.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.57
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-(1,3-oxazol-2-yl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide (CID 169368969) is 2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccccc1-c1ncco1.
What is the InChIKey of 2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide?
The InChIKey is YHKZKGCDQKJKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c12-7-10(13)15-9-4-2-1-3-8(9)11-14-5-6-16-11/h1-6H,7H2,(H2,13,15).
What are the key properties of 2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide?
2-chloro-N'-[2-(1,3-oxazol-2-yl)phenyl]ethanimidamide has a molecular weight of 235.67 g/mol, XLogP of 2.57, 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-(1,3-oxazol-2-yl)phenyl]ethanimidamide is sourced from PubChem (CID 169368969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).