4-(1,2-oxazol-5-yl)benzenecarboximidamide

C10H9N3O — CID 142630673

IUPAC4-(1,2-oxazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C10H9N3O/c11-10(12)8-3-1-7(2-4-8)9-5-6-13-14-9/h1-6H,(H3,11,12)
InChIKeyXFAUNELWWPYZOQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.63
Rot. Bonds2

About 4-(1,2-oxazol-5-yl)benzenecarboximidamide

4-(1,2-oxazol-5-yl)benzenecarboximidamide (PubChem CID 142630673) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1,2-oxazol-5-yl)benzenecarboximidamide
PubChem CID142630673
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-(1,2-oxazol-5-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccno2)cc1
InChIInChI=1S/C10H9N3O/c11-10(12)8-3-1-7(2-4-8)9-5-6-13-14-9/h1-6H,(H3,11,12)
InChIKeyXFAUNELWWPYZOQ-UHFFFAOYSA-N
XLogP1.63
TPSA75.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
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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Related Compounds

4-(furan-2-yl)benzenecarboximidamide
CID 11286893
2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide
CID 73057705
4-(5-phenyl-1,2-oxazol-3-yl)benzenecarboximidamide;hydrochloride
CID 16658981
4-(1,2-oxazol-5-yl)aniline;hydrochloride
CID 68853473
4-[5-(4-tert-butylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026326
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-[5-(4-ethylphenyl)furan-2-yl]benzenecarboximidamide
CID 127026325
4-[4-[5-(aminomethyl)furan-2-yl]phenyl]benzenecarboximidamide
CID 143041341
3-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride
CID 11153113
4-[5-(4-methoxyphenyl)furan-2-yl]benzenecarboximidamide
CID 10957290
methyl 4-(1,2-oxazol-5-yl)benzoate
CID 44541917
4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium
CID 158147655

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-5-yl)benzenecarboximidamide?
The IUPAC name of 4-(1,2-oxazol-5-yl)benzenecarboximidamide (CID 142630673) is 4-(1,2-oxazol-5-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(1,2-oxazol-5-yl)benzenecarboximidamide?
The canonical SMILES for 4-(1,2-oxazol-5-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccno2)cc1.
What is the InChIKey of 4-(1,2-oxazol-5-yl)benzenecarboximidamide?
The InChIKey is XFAUNELWWPYZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(12)8-3-1-7(2-4-8)9-5-6-13-14-9/h1-6H,(H3,11,12).
What are the key properties of 4-(1,2-oxazol-5-yl)benzenecarboximidamide?
4-(1,2-oxazol-5-yl)benzenecarboximidamide has a molecular weight of 187.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-5-yl)benzenecarboximidamide is sourced from PubChem (CID 142630673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).