(3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

C19H21F3N2O2 — CID 143615404

IUPAC(3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
SMILESCC(C)C1CCCN(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H21F3N2O2/c1-12(2)14-4-3-9-24(11-14)18(25)16-10-23-26-17(16)13-5-7-15(8-6-13)19(20,21)22/h5-8,10,12,14H,3-4,9,11H2,1-2H3
InChIKeyRWQWWYBTMWOAMP-UHFFFAOYSA-N
MW366.38 g/mol
LogP4.87
Rot. Bonds3

About (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone

(3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (PubChem CID 143615404) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
PubChem CID143615404
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name(3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
SMILESCC(C)C1CCCN(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C19H21F3N2O2/c1-12(2)14-4-3-9-24(11-14)18(25)16-10-23-26-17(16)13-5-7-15(8-6-13)19(20,21)22/h5-8,10,12,14H,3-4,9,11H2,1-2H3
InChIKeyRWQWWYBTMWOAMP-UHFFFAOYSA-N
XLogP4.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The IUPAC name of (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone (CID 143615404) is (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The canonical SMILES for (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is CC(C)C1CCCN(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
The InChIKey is RWQWWYBTMWOAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-12(2)14-4-3-9-24(11-14)18(25)16-10-23-26-17(16)13-5-7-15(8-6-13)19(20,21)22/h5-8,10,12,14H,3-4,9,11H2,1-2H3.
What are the key properties of (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone?
(3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone has a molecular weight of 366.38 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-ylpiperidin-1-yl)-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 143615404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).