4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

C26H30N4O6 — CID 59486588

IUPAC4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3(NC(C)=O)CCN(C(=O)N(C)O)CC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N4O6/c1-17(31)28-26(13-15-30(16-14-26)25(32)29(2)33)24-27-22(18-5-9-20(34-3)10-6-18)23(36-24)19-7-11-21(35-4)12-8-19/h5-12,33H,13-16H2,1-4H3,(H,28,31)
InChIKeyYGNVWTMSWDJKIP-UHFFFAOYSA-N
MW494.55 g/mol
LogP3.89
Rot. Bonds6

About 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide

4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (PubChem CID 59486588) has the molecular formula C26H30N4O6 and a molecular weight of 494.55 g/mol. Its IUPAC name is 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
PubChem CID59486588
Molecular FormulaC26H30N4O6
Molecular Weight494.55 g/mol
Exact Mass494.22
IUPAC Name4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3(NC(C)=O)CCN(C(=O)N(C)O)CC3)oc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N4O6/c1-17(31)28-26(13-15-30(16-14-26)25(32)29(2)33)24-27-22(18-5-9-20(34-3)10-6-18)23(36-24)19-7-11-21(35-4)12-8-19/h5-12,33H,13-16H2,1-4H3,(H,28,31)
InChIKeyYGNVWTMSWDJKIP-UHFFFAOYSA-N
XLogP3.89
TPSA117.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (CID 59486588) is 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is COc1ccc(-c2nc(C3(NC(C)=O)CCN(C(=O)N(C)O)CC3)oc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The InChIKey is YGNVWTMSWDJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6/c1-17(31)28-26(13-15-30(16-14-26)25(32)29(2)33)24-27-22(18-5-9-20(34-3)10-6-18)23(36-24)19-7-11-21(35-4)12-8-19/h5-12,33H,13-16H2,1-4H3,(H,28,31).
What are the key properties of 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide has a molecular weight of 494.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59486588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).