6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one

C20H19F3N2O2 — CID 70018288

IUPAC6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)cc2o1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)16-5-6-17-18(12-16)27-19(26)24-17/h1-6,12,14H,7-11H2,(H,24,26)
InChIKeyWPIHYLZVMZWRIP-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.60
Rot. Bonds3

About 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one

6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 70018288) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID70018288
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)cc2o1
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)16-5-6-17-18(12-16)27-19(26)24-17/h1-6,12,14H,7-11H2,(H,24,26)
InChIKeyWPIHYLZVMZWRIP-UHFFFAOYSA-N
XLogP4.60
TPSA49.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one (CID 70018288) is 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(N3CCC(Cc4ccc(C(F)(F)F)cc4)CC3)cc2o1.
What is the InChIKey of 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is WPIHYLZVMZWRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)15-3-1-13(2-4-15)11-14-7-9-25(10-8-14)16-5-6-17-18(12-16)27-19(26)24-17/h1-6,12,14H,7-11H2,(H,24,26).
What are the key properties of 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one?
6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 376.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 70018288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).