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

C21H24N2O5 — CID 15435208

IUPACN-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCc1cc(C2=NC(C(=O)NO)CO2)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C21H24N2O5/c1-3-7-15-10-16(21-22-17(13-28-21)20(24)23-25)11-18(19(15)26-2)27-12-14-8-5-4-6-9-14/h4-6,8-11,17,25H,3,7,12-13H2,1-2H3,(H,23,24)
InChIKeyKOZGEXOUZIPKIU-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.88
Rot. Bonds8

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

N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 15435208) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID15435208
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC NameN-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESCCCc1cc(C2=NC(C(=O)NO)CO2)cc(OCc2ccccc2)c1OC
InChIInChI=1S/C21H24N2O5/c1-3-7-15-10-16(21-22-17(13-28-21)20(24)23-25)11-18(19(15)26-2)27-12-14-8-5-4-6-9-14/h4-6,8-11,17,25H,3,7,12-13H2,1-2H3,(H,23,24)
InChIKeyKOZGEXOUZIPKIU-UHFFFAOYSA-N
XLogP2.88
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 15435208) is N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is CCCc1cc(C2=NC(C(=O)NO)CO2)cc(OCc2ccccc2)c1OC.
What is the InChIKey of N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is KOZGEXOUZIPKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-7-15-10-16(21-22-17(13-28-21)20(24)23-25)11-18(19(15)26-2)27-12-14-8-5-4-6-9-14/h4-6,8-11,17,25H,3,7,12-13H2,1-2H3,(H,23,24).
What are the key properties of N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxy-3-phenylmethoxy-5-propylphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 15435208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).