N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide

C25H26F3N3O4 — CID 59486748

IUPACN-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C25H26F3N3O4/c1-3-31(33)24(32)30-14-12-18(13-15-30)23-29-21(16-6-10-20(34-2)11-7-16)22(35-23)17-4-8-19(9-5-17)25(26,27)28/h4-11,18,33H,3,12-15H2,1-2H3
InChIKeySERHZNXNAJFXON-UHFFFAOYSA-N
MW489.49 g/mol
LogP6.05
Rot. Bonds5

About N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 59486748) has the molecular formula C25H26F3N3O4 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID59486748
Molecular FormulaC25H26F3N3O4
Molecular Weight489.49 g/mol
Exact Mass489.19
IUPAC NameN-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C25H26F3N3O4/c1-3-31(33)24(32)30-14-12-18(13-15-30)23-29-21(16-6-10-20(34-2)11-7-16)22(35-23)17-4-8-19(9-5-17)25(26,27)28/h4-11,18,33H,3,12-15H2,1-2H3
InChIKeySERHZNXNAJFXON-UHFFFAOYSA-N
XLogP6.05
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.49
LogP ≤ 56.05
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 N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 59486748) is N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide is CCN(O)C(=O)N1CCC(c2nc(-c3ccc(OC)cc3)c(-c3ccc(C(F)(F)F)cc3)o2)CC1.
What is the InChIKey of N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is SERHZNXNAJFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4/c1-3-31(33)24(32)30-14-12-18(13-15-30)23-29-21(16-6-10-20(34-2)11-7-16)22(35-23)17-4-8-19(9-5-17)25(26,27)28/h4-11,18,33H,3,12-15H2,1-2H3.
What are the key properties of N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 489.49 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-hydroxy-4-[4-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 59486748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).