[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C22H24F3N3O3 — CID 53168384

IUPAC[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H24F3N3O3/c1-14-18(21(30)27-9-2-3-10-27)26-19(31-14)15-7-11-28(12-8-15)20(29)16-5-4-6-17(13-16)22(23,24)25/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyVRAZIXRZYUZOAK-UHFFFAOYSA-N
MW435.45 g/mol
LogP4.26
Rot. Bonds3

About [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 53168384) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID53168384
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCC1
InChIInChI=1S/C22H24F3N3O3/c1-14-18(21(30)27-9-2-3-10-27)26-19(31-14)15-7-11-28(12-8-15)20(29)16-5-4-6-17(13-16)22(23,24)25/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyVRAZIXRZYUZOAK-UHFFFAOYSA-N
XLogP4.26
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 53168384) is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCC1.
What is the InChIKey of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is VRAZIXRZYUZOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-14-18(21(30)27-9-2-3-10-27)26-19(31-14)15-7-11-28(12-8-15)20(29)16-5-4-6-17(13-16)22(23,24)25/h4-6,13,15H,2-3,7-12H2,1H3.
What are the key properties of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 435.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53168384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).