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

C17H16N2O4 — CID 15381187

IUPACN-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NO)C1CC(c2ccc(OCc3ccccc3)cc2)=NO1
InChIInChI=1S/C17H16N2O4/c20-17(18-21)16-10-15(19-23-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9,16,21H,10-11H2,(H,18,20)
InChIKeyNXVZYEJQVDIBNN-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.26
Rot. Bonds5

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

N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 15381187) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID15381187
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC NameN-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NO)C1CC(c2ccc(OCc3ccccc3)cc2)=NO1
InChIInChI=1S/C17H16N2O4/c20-17(18-21)16-10-15(19-23-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9,16,21H,10-11H2,(H,18,20)
InChIKeyNXVZYEJQVDIBNN-UHFFFAOYSA-N
XLogP2.26
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 15381187) is N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NO)C1CC(c2ccc(OCc3ccccc3)cc2)=NO1.
What is the InChIKey of N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is NXVZYEJQVDIBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-17(18-21)16-10-15(19-23-16)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12/h1-9,16,21H,10-11H2,(H,18,20).
What are the key properties of N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-phenylmethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 15381187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).