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

C18H18N2O5 — CID 11013292

IUPAC(4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1OCc1ccccc1
InChIInChI=1S/C18H18N2O5/c1-23-16-9-13(18-19-14(11-25-18)17(21)20-22)7-8-15(16)24-10-12-5-3-2-4-6-12/h2-9,14,22H,10-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyZAHYRFXIHDIKGK-CQSZACIVSA-N
MW342.35 g/mol
LogP1.92
Rot. Bonds6

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

(4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 11013292) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID11013292
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCOc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1OCc1ccccc1
InChIInChI=1S/C18H18N2O5/c1-23-16-9-13(18-19-14(11-25-18)17(21)20-22)7-8-15(16)24-10-12-5-3-2-4-6-12/h2-9,14,22H,10-11H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyZAHYRFXIHDIKGK-CQSZACIVSA-N
XLogP1.92
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

benzyl (4S)-2-(3-fluoro-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201338
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
CID 1154159
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
(3R)-3-(3-methoxy-4-phenylmethoxyphenyl)morpholine
CID 171192902
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397
[6-(3-methoxy-4-phenylmethoxyphenyl)-1,3-benzodioxol-5-yl]methanol
CID 10948495
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
2-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 82228571
methyl (1S,5R,6S)-6-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3-oxabicyclo[3.1.0]hexane-1-carboxylate
CID 177491975

Frequently Asked Questions

What is the IUPAC name of (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 11013292) is (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is COc1cc(C2=N[C@@H](C(=O)NO)CO2)ccc1OCc1ccccc1.
What is the InChIKey of (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is ZAHYRFXIHDIKGK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-16-9-13(18-19-14(11-25-18)17(21)20-22)7-8-15(16)24-10-12-5-3-2-4-6-12/h2-9,14,22H,10-11H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 11013292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).