4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide

C10H11N3O — CID 22934841

IUPAC4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOCC2)cc1
InChIInChI=1S/C10H11N3O/c11-10(12)8-3-1-7(2-4-8)9-5-6-14-13-9/h1-4H,5-6H2,(H3,11,12)
InChIKeyZFBJITILTXJDGE-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.10
Rot. Bonds2

About 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide

4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide (PubChem CID 22934841) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide
PubChem CID22934841
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2=NOCC2)cc1
InChIInChI=1S/C10H11N3O/c11-10(12)8-3-1-7(2-4-8)9-5-6-14-13-9/h1-4H,5-6H2,(H3,11,12)
InChIKeyZFBJITILTXJDGE-UHFFFAOYSA-N
XLogP1.10
TPSA71.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.10
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-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-(1,2-oxazol-5-yl)benzenecarboximidamide
CID 142630673
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909
4-(furan-2-yl)benzenecarboximidamide
CID 11286893
4-[5-(4-carbamimidoylphenyl)-3,4-dimethylfuran-2-yl]benzenecarboximidamide;carbanide;ethane;yttrium
CID 158147655
(2S)-2,3-diamino-5-[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-4-oxopentanoic acid
CID 152763441
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-(3,4-difluorophenyl)benzenecarboximidamide
CID 15114042

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide?
The IUPAC name of 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide (CID 22934841) is 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide?
The canonical SMILES for 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C2=NOCC2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide?
The InChIKey is ZFBJITILTXJDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10(12)8-3-1-7(2-4-8)9-5-6-14-13-9/h1-4H,5-6H2,(H3,11,12).
What are the key properties of 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide?
4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide has a molecular weight of 189.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide is sourced from PubChem (CID 22934841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).