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

C23H25N3O5 — CID 89031755

IUPACN-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)oc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25N3O5/c1-25(29)23(28)26-13-11-17(12-14-26)22-24-20(15-5-9-19(30-2)10-6-15)21(31-22)16-3-7-18(27)8-4-16/h3-10,17,27,29H,11-14H2,1-2H3
InChIKeyUGMVJPBEYZSYBY-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.34
Rot. Bonds4

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

N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide (PubChem CID 89031755) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
PubChem CID89031755
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)oc2-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H25N3O5/c1-25(29)23(28)26-13-11-17(12-14-26)22-24-20(15-5-9-19(30-2)10-6-15)21(31-22)16-3-7-18(27)8-4-16/h3-10,17,27,29H,11-14H2,1-2H3
InChIKeyUGMVJPBEYZSYBY-UHFFFAOYSA-N
XLogP4.34
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.34
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-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The IUPAC name of N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide (CID 89031755) is N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The canonical SMILES for N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide is COc1ccc(-c2nc(C3CCN(C(=O)N(C)O)CC3)oc2-c2ccc(O)cc2)cc1.
What is the InChIKey of N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
The InChIKey is UGMVJPBEYZSYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-25(29)23(28)26-13-11-17(12-14-26)22-24-20(15-5-9-19(30-2)10-6-15)21(31-22)16-3-7-18(27)8-4-16/h3-10,17,27,29H,11-14H2,1-2H3.
What are the key properties of N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide?
N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[5-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 89031755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).