2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide

C16H14N6O — CID 73057705

IUPAC2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3cc(/C(N)=N/[H])ccn3)no2)cc1
InChIInChI=1S/C16H14N6O/c17-15(18)10-3-1-9(2-4-10)14-8-13(22-23-14)12-7-11(16(19)20)5-6-21-12/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyBQOWCVOPCYHIPI-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.97
Rot. Bonds4

About 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide

2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide (PubChem CID 73057705) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide
PubChem CID73057705
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(-c3cc(/C(N)=N/[H])ccn3)no2)cc1
InChIInChI=1S/C16H14N6O/c17-15(18)10-3-1-9(2-4-10)14-8-13(22-23-14)12-7-11(16(19)20)5-6-21-12/h1-8H,(H3,17,18)(H3,19,20)
InChIKeyBQOWCVOPCYHIPI-UHFFFAOYSA-N
XLogP1.97
TPSA138.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide?
The IUPAC name of 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide (CID 73057705) is 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide?
The canonical SMILES for 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccc(-c2cc(-c3cc(/C(N)=N/[H])ccn3)no2)cc1.
What is the InChIKey of 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide?
The InChIKey is BQOWCVOPCYHIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c17-15(18)10-3-1-9(2-4-10)14-8-13(22-23-14)12-7-11(16(19)20)5-6-21-12/h1-8H,(H3,17,18)(H3,19,20).
What are the key properties of 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide?
2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide has a molecular weight of 306.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamimidoylphenyl)-1,2-oxazol-3-yl]pyridine-4-carboximidamide is sourced from PubChem (CID 73057705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).