1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate

C18H20F3N3O3 — CID 171824308

IUPAC1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(C2CCN(CC(F)(F)F)CC2)cc1)OCc1cnco1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)11-24-7-5-14(6-8-24)13-1-3-15(4-2-13)23-17(25)26-10-16-9-22-12-27-16/h1-4,9,12,14H,5-8,10-11H2,(H,23,25)
InChIKeyAYCIWPJIBVPYNL-UHFFFAOYSA-N
MW383.37 g/mol
LogP4.16
Rot. Bonds5

About 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate

1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate (PubChem CID 171824308) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate.

Molecular Properties

Compound Name1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate
PubChem CID171824308
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate
SMILESO=C(Nc1ccc(C2CCN(CC(F)(F)F)CC2)cc1)OCc1cnco1
InChIInChI=1S/C18H20F3N3O3/c19-18(20,21)11-24-7-5-14(6-8-24)13-1-3-15(4-2-13)23-17(25)26-10-16-9-22-12-27-16/h1-4,9,12,14H,5-8,10-11H2,(H,23,25)
InChIKeyAYCIWPJIBVPYNL-UHFFFAOYSA-N
XLogP4.16
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate?
The IUPAC name of 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate (CID 171824308) is 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate.
What is the SMILES notation for 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate?
The canonical SMILES for 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate is O=C(Nc1ccc(C2CCN(CC(F)(F)F)CC2)cc1)OCc1cnco1.
What is the InChIKey of 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate?
The InChIKey is AYCIWPJIBVPYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c19-18(20,21)11-24-7-5-14(6-8-24)13-1-3-15(4-2-13)23-17(25)26-10-16-9-22-12-27-16/h1-4,9,12,14H,5-8,10-11H2,(H,23,25).
What are the key properties of 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate?
1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate has a molecular weight of 383.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-5-ylmethyl N-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]carbamate is sourced from PubChem (CID 171824308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).