tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate

C24H29F3N2O5 — CID 67981337

IUPACtert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)CC1
InChIInChI=1S/C24H29F3N2O5/c1-23(2,3)33-22(30)29-12-10-16(11-13-29)31-14-18-20(28-34-21(18)15-8-9-15)17-6-4-5-7-19(17)32-24(25,26)27/h4-7,15-16H,8-14H2,1-3H3
InChIKeyHOGQQAFENSVUKP-UHFFFAOYSA-N
MW482.50 g/mol
LogP6.03
Rot. Bonds6

About tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate

tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate (PubChem CID 67981337) has the molecular formula C24H29F3N2O5 and a molecular weight of 482.50 g/mol. Its IUPAC name is tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate
PubChem CID67981337
Molecular FormulaC24H29F3N2O5
Molecular Weight482.50 g/mol
Exact Mass482.20
IUPAC Nametert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)CC1
InChIInChI=1S/C24H29F3N2O5/c1-23(2,3)33-22(30)29-12-10-16(11-13-29)31-14-18-20(28-34-21(18)15-8-9-15)17-6-4-5-7-19(17)32-24(25,26)27/h4-7,15-16H,8-14H2,1-3H3
InChIKeyHOGQQAFENSVUKP-UHFFFAOYSA-N
XLogP6.03
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate (CID 67981337) is tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCc2c(-c3ccccc3OC(F)(F)F)noc2C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate?
The InChIKey is HOGQQAFENSVUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N2O5/c1-23(2,3)33-22(30)29-12-10-16(11-13-29)31-14-18-20(28-34-21(18)15-8-9-15)17-6-4-5-7-19(17)32-24(25,26)27/h4-7,15-16H,8-14H2,1-3H3.
What are the key properties of tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate?
tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate has a molecular weight of 482.50 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 67981337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).