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

C25H29N3O4 — CID 59486965

IUPAC4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCCc1ccc(-c2oc(C3CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-4-17-5-7-19(8-6-17)23-22(18-9-11-21(31-3)12-10-18)26-24(32-23)20-13-15-28(16-14-20)25(29)27(2)30/h5-12,20,30H,4,13-16H2,1-3H3
InChIKeyKIABIXPYJRIKQO-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.20
Rot. Bonds5

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

4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (PubChem CID 59486965) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
PubChem CID59486965
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide
SMILESCCc1ccc(-c2oc(C3CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H29N3O4/c1-4-17-5-7-19(8-6-17)23-22(18-9-11-21(31-3)12-10-18)26-24(32-23)20-13-15-28(16-14-20)25(29)27(2)30/h5-12,20,30H,4,13-16H2,1-3H3
InChIKeyKIABIXPYJRIKQO-UHFFFAOYSA-N
XLogP5.20
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide (CID 59486965) is 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is CCc1ccc(-c2oc(C3CCN(C(=O)N(C)O)CC3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
The InChIKey is KIABIXPYJRIKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-4-17-5-7-19(8-6-17)23-22(18-9-11-21(31-3)12-10-18)26-24(32-23)20-13-15-28(16-14-20)25(29)27(2)30/h5-12,20,30H,4,13-16H2,1-3H3.
What are the key properties of 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide?
4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide has a molecular weight of 435.52 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethylphenyl)-4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-hydroxy-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 59486965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).