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

C26H31N3O5 — CID 59486528

IUPACN-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2oc(C3CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O5/c1-17(2)33-22-11-5-18(6-12-22)23-24(19-7-9-21(32-4)10-8-19)34-25(27-23)20-13-15-29(16-14-20)26(30)28(3)31/h5-12,17,20,31H,13-16H2,1-4H3
InChIKeyVJQGSZNQHGYMPK-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.42
Rot. Bonds6

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

N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 59486528) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
PubChem CID59486528
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC NameN-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2oc(C3CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C26H31N3O5/c1-17(2)33-22-11-5-18(6-12-22)23-24(19-7-9-21(32-4)10-8-19)34-25(27-23)20-13-15-29(16-14-20)26(30)28(3)31/h5-12,17,20,31H,13-16H2,1-4H3
InChIKeyVJQGSZNQHGYMPK-UHFFFAOYSA-N
XLogP5.42
TPSA88.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
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

N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031755
4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486965
4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methoxy-N-methylpiperidine-1-carboxamide
CID 59486654
N-hydroxy-4-[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59486882
2-[[4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carbonyl]-hydroxyamino]acetic acid
CID 59486667
4-[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 59486680
4-formyl-N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
CID 89031770
N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 59486748
N-ethyl-N-hydroxy-4-[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
CID 59487060
4-acetamido-4-[4,5-bis(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
CID 59486588
1-[hydroxy(methyl)carbamoyl]-4-[4-(4-methoxyphenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-4-carboxylic acid
CID 59486721
4-[4-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-1,3-oxazol-2-yl]-N-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 59486627

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide (CID 59486528) is N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide is COc1ccc(-c2oc(C3CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is VJQGSZNQHGYMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-17(2)33-22-11-5-18(6-12-22)23-24(19-7-9-21(32-4)10-8-19)34-25(27-23)20-13-15-29(16-14-20)26(30)28(3)31/h5-12,17,20,31H,13-16H2,1-4H3.
What are the key properties of N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[5-(4-methoxyphenyl)-4-(4-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59486528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).