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

C12H9ClFN3O3 — CID 11000993

IUPAC(4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2[nH]c3ccc(F)cc3c2Cl)=N1
InChIInChI=1S/C12H9ClFN3O3/c13-9-6-3-5(14)1-2-7(6)15-10(9)12-16-8(4-20-12)11(18)17-19/h1-3,8,15,19H,4H2,(H,17,18)/t8-/m1/s1
InChIKeyWFPJQNYGIZCKSO-MRVPVSSYSA-N
MW297.67 g/mol
LogP1.61
Rot. Bonds2

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

(4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 11000993) has the molecular formula C12H9ClFN3O3 and a molecular weight of 297.67 g/mol. Its IUPAC name is (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID11000993
Molecular FormulaC12H9ClFN3O3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name(4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)[C@H]1COC(c2[nH]c3ccc(F)cc3c2Cl)=N1
InChIInChI=1S/C12H9ClFN3O3/c13-9-6-3-5(14)1-2-7(6)15-10(9)12-16-8(4-20-12)11(18)17-19/h1-3,8,15,19H,4H2,(H,17,18)/t8-/m1/s1
InChIKeyWFPJQNYGIZCKSO-MRVPVSSYSA-N
XLogP1.61
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 51.61
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-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 11000993) is (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)[C@H]1COC(c2[nH]c3ccc(F)cc3c2Cl)=N1.
What is the InChIKey of (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is WFPJQNYGIZCKSO-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H9ClFN3O3/c13-9-6-3-5(14)1-2-7(6)15-10(9)12-16-8(4-20-12)11(18)17-19/h1-3,8,15,19H,4H2,(H,17,18)/t8-/m1/s1.
What are the key properties of (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 297.67 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3-chloro-5-fluoro-1H-indol-2-yl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11000993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).