2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide

C20H17FN4O3 — CID 58378226

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
SMILESCc1noc(C)c1-c1c(/C(N)=N/O)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C20H17FN4O3/c1-10-17(11(2)28-24-10)19-18(20(22)23-27)13-5-3-4-6-15(13)25(19)16-8-7-12(26)9-14(16)21/h3-9,26-27H,1-2H3,(H2,22,23)
InChIKeyIGAMPXOLQUVAQR-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.84
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide (PubChem CID 58378226) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
PubChem CID58378226
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide
SMILESCc1noc(C)c1-c1c(/C(N)=N/O)c2ccccc2n1-c1ccc(O)cc1F
InChIInChI=1S/C20H17FN4O3/c1-10-17(11(2)28-24-10)19-18(20(22)23-27)13-5-3-4-6-15(13)25(19)16-8-7-12(26)9-14(16)21/h3-9,26-27H,1-2H3,(H2,22,23)
InChIKeyIGAMPXOLQUVAQR-UHFFFAOYSA-N
XLogP3.84
TPSA109.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.84
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide (CID 58378226) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide is Cc1noc(C)c1-c1c(/C(N)=N/O)c2ccccc2n1-c1ccc(O)cc1F.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
The InChIKey is IGAMPXOLQUVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-10-17(11(2)28-24-10)19-18(20(22)23-27)13-5-3-4-6-15(13)25(19)16-8-7-12(26)9-14(16)21/h3-9,26-27H,1-2H3,(H2,22,23).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide has a molecular weight of 380.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-fluoro-4-hydroxyphenyl)-N'-hydroxyindole-3-carboximidamide is sourced from PubChem (CID 58378226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).