5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole

C19H21F3N2O — CID 71848138

IUPAC5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1cnc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)o1
InChIInChI=1S/C19H21F3N2O/c1-13(2)17-11-23-18(25-17)12-24-9-7-14(8-10-24)15-5-3-4-6-16(15)19(20,21)22/h3-7,11,13H,8-10,12H2,1-2H3
InChIKeyUTSMQQVVDLMUPE-UHFFFAOYSA-N
MW350.38 g/mol
LogP5.11
Rot. Bonds4

About 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole

5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole (PubChem CID 71848138) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
PubChem CID71848138
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole
SMILESCC(C)c1cnc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)o1
InChIInChI=1S/C19H21F3N2O/c1-13(2)17-11-23-18(25-17)12-24-9-7-14(8-10-24)15-5-3-4-6-16(15)19(20,21)22/h3-7,11,13H,8-10,12H2,1-2H3
InChIKeyUTSMQQVVDLMUPE-UHFFFAOYSA-N
XLogP5.11
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole (CID 71848138) is 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole is CC(C)c1cnc(CN2CC=C(c3ccccc3C(F)(F)F)CC2)o1.
What is the InChIKey of 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
The InChIKey is UTSMQQVVDLMUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-13(2)17-11-23-18(25-17)12-24-9-7-14(8-10-24)15-5-3-4-6-16(15)19(20,21)22/h3-7,11,13H,8-10,12H2,1-2H3.
What are the key properties of 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole?
5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole has a molecular weight of 350.38 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-[[4-[2-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 71848138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).