5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide

C14H11ClN6O2 — CID 155585459

IUPAC5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C14H11ClN6O2/c15-9-3-1-8(2-4-9)11-6-19-14(23-11)20-12-7-17-10(5-18-12)13(16)21-22/h1-7,22H,(H2,16,21)(H,18,19,20)
InChIKeyQHPFHYGMIVUCBB-UHFFFAOYSA-N
MW330.74 g/mol
LogP2.62
Rot. Bonds4

About 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide

5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 155585459) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
PubChem CID155585459
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1
InChIInChI=1S/C14H11ClN6O2/c15-9-3-1-8(2-4-9)11-6-19-14(23-11)20-12-7-17-10(5-18-12)13(16)21-22/h1-7,22H,(H2,16,21)(H,18,19,20)
InChIKeyQHPFHYGMIVUCBB-UHFFFAOYSA-N
XLogP2.62
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboximidamide
CID 155585177
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide
CID 167557307
ethane;N'-hydroxy-5-[[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carboximidamide
CID 155585292
3-N-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzene-1,3-diamine
CID 146018038
N',3-dihydroxy-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172965921
5-(4-chlorophenyl)-N-pyridin-3-yl-1,3-oxazol-2-amine
CID 23725370
6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridin-3-ol
CID 167652045
5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 164936186
6-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridazine-3-carbonitrile
CID 155585129
[5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]indazol-1-yl]methanol
CID 71612891

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide (CID 155585459) is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide is NC(=NO)c1cnc(Nc2ncc(-c3ccc(Cl)cc3)o2)cn1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is QHPFHYGMIVUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c15-9-3-1-8(2-4-9)11-6-19-14(23-11)20-12-7-17-10(5-18-12)13(16)21-22/h1-7,22H,(H2,16,21)(H,18,19,20).
What are the key properties of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 330.74 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 155585459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).