N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide

C14H10F3N7O2 — CID 155585301

IUPACN'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide
SMILESNC(=NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C14H10F3N7O2/c15-14(16,17)7-1-2-9(19-3-7)10-6-22-13(26-10)23-8-4-20-12(21-5-8)11(18)24-25/h1-6,25H,(H2,18,24)(H,22,23)
InChIKeyAHAVQXMGJUWHHI-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.38
Rot. Bonds4

About N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide

N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide (PubChem CID 155585301) has the molecular formula C14H10F3N7O2 and a molecular weight of 365.28 g/mol. Its IUPAC name is N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide
PubChem CID155585301
Molecular FormulaC14H10F3N7O2
Molecular Weight365.28 g/mol
Exact Mass365.08
IUPAC NameN'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide
SMILESNC(=NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1
InChIInChI=1S/C14H10F3N7O2/c15-14(16,17)7-1-2-9(19-3-7)10-6-22-13(26-10)23-8-4-20-12(21-5-8)11(18)24-25/h1-6,25H,(H2,18,24)(H,22,23)
InChIKeyAHAVQXMGJUWHHI-UHFFFAOYSA-N
XLogP2.38
TPSA135.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide (CID 155585301) is N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide is NC(=NO)c1ncc(Nc2ncc(-c3ccc(C(F)(F)F)cn3)o2)cn1.
What is the InChIKey of N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide?
The InChIKey is AHAVQXMGJUWHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N7O2/c15-14(16,17)7-1-2-9(19-3-7)10-6-22-13(26-10)23-8-4-20-12(21-5-8)11(18)24-25/h1-6,25H,(H2,18,24)(H,22,23).
What are the key properties of N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide?
N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide has a molecular weight of 365.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide is sourced from PubChem (CID 155585301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).