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

C14H10F3N7O2 — CID 163419283

IUPACN'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyrimidine-2-carboximidamide
SMILESN/C(=N/O)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 163419283) 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 CID163419283
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
SMILESN/C(=N/O)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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Related Compounds

4-{5-[3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-phenyl]-oxazol-2-yl}-4,7-diaza-spiro[2.5]octan-8-one
CID 118394982
4-{5-[3-Methy1-5-(4-trifluoromethyl-pyrimidin-2-ylamino)-phenyl]-oxazol-2-yl}-4,7-diaza-spiro[2.5]octan-8-one
CID 118395093
4-{5-[2-Fluoro-5-(4-methyl-pyrimidin-2-ylamino)-phenyl]-oxazol-2-yl}-4,7-diaza-spiro[2.5]octan-8-one
CID 118395109
5-{5-[3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-phenyl]-oxazol-2-yl}-5,8-diaza-spiro[3.5]nonan-9-one
CID 118395112
US11066396, Example 360
CID 132258851
N-(3-methyl-2-pyridinyl)-5-pyridin-2-yl-1,3-oxazol-2-amine
CID 162669351
4-(1,3-Oxazol-2-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine-2-carbohydrazide
CID 168277576
US20260028365, Example 600
CID 170731115
WO2024186584, Example 36
CID 176087090
WO2024186584, Example 42
CID 176087092
WO2024186584, Example 41
CID 176087113
WO2024186584, Example 65
CID 176556399

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 163419283) 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 N/C(=N/O)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 163419283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).