(4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

C13H16N2O3 — CID 15435207

IUPAC(4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCc1cccc(C2=N[C@@H](C(=O)NO)CO2)c1
InChIInChI=1S/C13H16N2O3/c1-2-4-9-5-3-6-10(7-9)13-14-11(8-18-13)12(16)15-17/h3,5-7,11,17H,2,4,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyGGNHIOGYKAPXIX-LLVKDONJSA-N
MW248.28 g/mol
LogP1.29
Rot. Bonds4

About (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 15435207) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID15435207
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCc1cccc(C2=N[C@@H](C(=O)NO)CO2)c1
InChIInChI=1S/C13H16N2O3/c1-2-4-9-5-3-6-10(7-9)13-14-11(8-18-13)12(16)15-17/h3,5-7,11,17H,2,4,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyGGNHIOGYKAPXIX-LLVKDONJSA-N
XLogP1.29
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
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)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 15435207) is (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is CCCc1cccc(C2=N[C@@H](C(=O)NO)CO2)c1.
What is the InChIKey of (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is GGNHIOGYKAPXIX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-4-9-5-3-6-10(7-9)13-14-11(8-18-13)12(16)15-17/h3,5-7,11,17H,2,4,8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-2-(3-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 15435207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).