N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

C10H10N2O3 — CID 562046

IUPACN-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)C1COC(c2ccccc2)=N1
InChIInChI=1S/C10H10N2O3/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H,12,13)
InChIKeyWXOVMEKLQFRMEM-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.34
Rot. Bonds2

About N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide

N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 562046) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID562046
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC NameN-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESO=C(NO)C1COC(c2ccccc2)=N1
InChIInChI=1S/C10H10N2O3/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H,12,13)
InChIKeyWXOVMEKLQFRMEM-UHFFFAOYSA-N
XLogP0.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.34
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 N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 562046) is N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is O=C(NO)C1COC(c2ccccc2)=N1.
What is the InChIKey of N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is WXOVMEKLQFRMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-9(12-14)8-6-15-10(11-8)7-4-2-1-3-5-7/h1-5,8,14H,6H2,(H,12,13).
What are the key properties of N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 562046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).