(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

C12H10FN3O3 — CID 70701912

IUPAC(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2cc3cc(F)ccc3[nH]2)=N1
InChIInChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1
InChIKeyISFZHEKCGJEWJK-SNVBAGLBSA-N
MW263.23 g/mol
LogP0.96
Rot. Bonds2

About (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 70701912) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID70701912
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2cc3cc(F)ccc3[nH]2)=N1
InChIInChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1
InChIKeyISFZHEKCGJEWJK-SNVBAGLBSA-N
XLogP0.96
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 70701912) is (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)[C@H]1COC(c2cc3cc(F)ccc3[nH]2)=N1.
What is the InChIKey of (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is ISFZHEKCGJEWJK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H10FN3O3/c13-7-1-2-8-6(3-7)4-9(14-8)12-15-10(5-19-12)11(17)16-18/h1-4,10,14,18H,5H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 263.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70701912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).