N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide

C16H12F3N5O3 — CID 167557307

IUPACN',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide
SMILESNC(=NO)c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)ncc1O
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)9-3-1-8(2-4-9)12-7-22-15(27-12)23-13-5-10(14(20)24-26)11(25)6-21-13/h1-7,25-26H,(H2,20,24)(H,21,22,23)
InChIKeyDEFNOLZSICRGCV-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.30
Rot. Bonds4

About N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide

N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide (PubChem CID 167557307) has the molecular formula C16H12F3N5O3 and a molecular weight of 379.30 g/mol. Its IUPAC name is N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide
PubChem CID167557307
Molecular FormulaC16H12F3N5O3
Molecular Weight379.30 g/mol
Exact Mass379.09
IUPAC NameN',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide
SMILESNC(=NO)c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)ncc1O
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)9-3-1-8(2-4-9)12-7-22-15(27-12)23-13-5-10(14(20)24-26)11(25)6-21-13/h1-7,25-26H,(H2,20,24)(H,21,22,23)
InChIKeyDEFNOLZSICRGCV-UHFFFAOYSA-N
XLogP3.30
TPSA129.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.30
H-Bond Donors ≤ 54
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-hydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-1H-pyridin-4-one
CID 155585282
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyrazine-2-carboximidamide
CID 155585459
N-[(2R)-2-amino-3-hydroxypropyl]-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
CID 164936178
N',3-dihydroxy-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172965921
3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585112
6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridin-3-ol
CID 167652045
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585257
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272

Frequently Asked Questions

What is the IUPAC name of N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide?
The IUPAC name of N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide (CID 167557307) is N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide.
What is the SMILES notation for N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide?
The canonical SMILES for N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide is NC(=NO)c1cc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)ncc1O.
What is the InChIKey of N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide?
The InChIKey is DEFNOLZSICRGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3/c17-16(18,19)9-3-1-8(2-4-9)12-7-22-15(27-12)23-13-5-10(14(20)24-26)11(25)6-21-13/h1-7,25-26H,(H2,20,24)(H,21,22,23).
What are the key properties of N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide?
N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide has a molecular weight of 379.30 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide is sourced from PubChem (CID 167557307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).