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

C15H11F3N6O2 — CID 155585468

IUPACN'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)9-3-1-8(2-4-9)11-6-22-14(26-11)23-12-7-20-10(5-21-12)13(19)24-25/h1-7,25H,(H2,19,24)(H,21,22,23)
InChIKeyKMZQKZXXBQRRPK-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.99
Rot. Bonds4

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

N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide (PubChem CID 155585468) has the molecular formula C15H11F3N6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide
PubChem CID155585468
Molecular FormulaC15H11F3N6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC NameN'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide
SMILESNC(=NO)c1cnc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)9-3-1-8(2-4-9)11-6-22-14(26-11)23-12-7-20-10(5-21-12)13(19)24-25/h1-7,25H,(H2,19,24)(H,21,22,23)
InChIKeyKMZQKZXXBQRRPK-UHFFFAOYSA-N
XLogP2.99
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.99
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

2-[3-(Oxazol-5-yl)phenylamino]-6-(3-acetamidophenyl)pyrazine
CID 11574273
Aminoxazole 23
CID 5329403
3-(cyclohexylmethyl)-5-[4-(1,3-oxazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 24985874
{4-[4-(4-Fluoro-phenyl)-oxazol-5-yl]-pyridin-2-yl}-urea
CID 69085448
Cholesterol 24-hydroxylase-IN-3
CID 86280745
N-(3-methyl-2-pyridinyl)-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 162669351
6-(5-Phenyl-1,3-oxazol-2-yl)-1-pyridin-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 122229568
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 11545274
3,5-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]pyridine-4-carboxamide
CID 11574710
N-(4-methylpyridin-2-yl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine
CID 53312081
N-(4-methylpyridin-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine
CID 53312082
6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 67324572

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide (CID 155585468) is N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide is NC(=NO)c1cnc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)cn1.
What is the InChIKey of N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide?
The InChIKey is KMZQKZXXBQRRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2/c16-15(17,18)9-3-1-8(2-4-9)11-6-22-14(26-11)23-12-7-20-10(5-21-12)13(19)24-25/h1-7,25H,(H2,19,24)(H,21,22,23).
What are the key properties of N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide?
N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide has a molecular weight of 364.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyrazine-2-carboximidamide is sourced from PubChem (CID 155585468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).