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

C14H11ClN6O2 — CID 175733548

IUPAC3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1nccnc1Nc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H11ClN6O2/c15-9-3-1-8(2-4-9)10-7-19-14(23-10)20-13-11(12(16)21-22)17-5-6-18-13/h1-7,22H,(H2,16,21)(H,18,19,20)
InChIKeyHWOCMWJFAXSFFP-UHFFFAOYSA-N
MW330.74 g/mol
LogP2.62
Rot. Bonds4

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

3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 175733548) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
PubChem CID175733548
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Name3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
SMILESNC(=NO)c1nccnc1Nc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C14H11ClN6O2/c15-9-3-1-8(2-4-9)10-7-19-14(23-10)20-13-11(12(16)21-22)17-5-6-18-13/h1-7,22H,(H2,16,21)(H,18,19,20)
InChIKeyHWOCMWJFAXSFFP-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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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide (CID 175733548) is 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide is NC(=NO)c1nccnc1Nc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is HWOCMWJFAXSFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c15-9-3-1-8(2-4-9)10-7-19-14(23-10)20-13-11(12(16)21-22)17-5-6-18-13/h1-7,22H,(H2,16,21)(H,18,19,20).
What are the key properties of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide?
3-[[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 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 175733548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).