1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one

C19H23F3N2O3 — CID 10045550

IUPAC1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one
SMILESCCCc1c(OCCCN2CCCCC2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C19H23F3N2O3/c1-2-6-13-15(26-12-5-11-24-10-4-3-7-16(24)25)9-8-14-17(13)27-23-18(14)19(20,21)22/h8-9H,2-7,10-12H2,1H3
InChIKeyLIVRURJPOKYWBN-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.58
Rot. Bonds7

About 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one

1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one (PubChem CID 10045550) has the molecular formula C19H23F3N2O3 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one
PubChem CID10045550
Molecular FormulaC19H23F3N2O3
Molecular Weight384.40 g/mol
Exact Mass384.17
IUPAC Name1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one
SMILESCCCc1c(OCCCN2CCCCC2=O)ccc2c(C(F)(F)F)noc12
InChIInChI=1S/C19H23F3N2O3/c1-2-6-13-15(26-12-5-11-24-10-4-3-7-16(24)25)9-8-14-17(13)27-23-18(14)19(20,21)22/h8-9H,2-7,10-12H2,1H3
InChIKeyLIVRURJPOKYWBN-UHFFFAOYSA-N
XLogP4.58
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one?
The IUPAC name of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one (CID 10045550) is 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one?
The canonical SMILES for 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one is CCCc1c(OCCCN2CCCCC2=O)ccc2c(C(F)(F)F)noc12.
What is the InChIKey of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one?
The InChIKey is LIVRURJPOKYWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3/c1-2-6-13-15(26-12-5-11-24-10-4-3-7-16(24)25)9-8-14-17(13)27-23-18(14)19(20,21)22/h8-9H,2-7,10-12H2,1H3.
What are the key properties of 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one?
1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one has a molecular weight of 384.40 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[7-propyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]propyl]piperidin-2-one is sourced from PubChem (CID 10045550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).