5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

C16H13F2N5O2 — CID 155585247

IUPAC5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)F)cc3)o2)cn1
InChIInChI=1S/C16H13F2N5O2/c17-14(18)10-3-1-9(2-4-10)13-8-21-16(25-13)22-11-5-6-12(20-7-11)15(19)23-24/h1-8,14,24H,(H2,19,23)(H,21,22)
InChIKeyDRMANLOYYJSUFX-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.51
Rot. Bonds5

About 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide

5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 155585247) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
PubChem CID155585247
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
SMILESN/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)F)cc3)o2)cn1
InChIInChI=1S/C16H13F2N5O2/c17-14(18)10-3-1-9(2-4-10)13-8-21-16(25-13)22-11-5-6-12(20-7-11)15(19)23-24/h1-8,14,24H,(H2,19,23)(H,21,22)
InChIKeyDRMANLOYYJSUFX-UHFFFAOYSA-N
XLogP3.51
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide (CID 155585247) is 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is N/C(=N\O)c1ccc(Nc2ncc(-c3ccc(C(F)F)cc3)o2)cn1.
What is the InChIKey of 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is DRMANLOYYJSUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c17-14(18)10-3-1-9(2-4-10)13-8-21-16(25-13)22-11-5-6-12(20-7-11)15(19)23-24/h1-8,14,24H,(H2,19,23)(H,21,22).
What are the key properties of 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide?
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 345.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 155585247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).