4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide

C26H26F3N3O4 — CID 162653782

IUPAC4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)CC1
InChIInChI=1S/C26H26F3N3O4/c27-26(28,29)35-22-9-5-4-8-20(22)23-21(24(36-31-23)17-10-11-17)16-34-19-12-14-32(15-13-19)25(33)30-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,30,33)
InChIKeyZYOTUUDXPOEGHB-UHFFFAOYSA-N
MW501.51 g/mol
LogP6.33
Rot. Bonds7

About 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide

4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide (PubChem CID 162653782) has the molecular formula C26H26F3N3O4 and a molecular weight of 501.51 g/mol. Its IUPAC name is 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide
PubChem CID162653782
Molecular FormulaC26H26F3N3O4
Molecular Weight501.51 g/mol
Exact Mass501.19
IUPAC Name4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)CC1
InChIInChI=1S/C26H26F3N3O4/c27-26(28,29)35-22-9-5-4-8-20(22)23-21(24(36-31-23)17-10-11-17)16-34-19-12-14-32(15-13-19)25(33)30-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,30,33)
InChIKeyZYOTUUDXPOEGHB-UHFFFAOYSA-N
XLogP6.33
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.51
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide (CID 162653782) is 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)CC1.
What is the InChIKey of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZYOTUUDXPOEGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O4/c27-26(28,29)35-22-9-5-4-8-20(22)23-21(24(36-31-23)17-10-11-17)16-34-19-12-14-32(15-13-19)25(33)30-18-6-2-1-3-7-18/h1-9,17,19H,10-16H2,(H,30,33).
What are the key properties of 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide?
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 162653782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).