[3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

C25H23F3N4O3 — CID 66840447

IUPAC[3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CC(N2CCN(C(=O)c3cnco3)CC2)C1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)20-3-1-2-19(12-20)17-4-6-18(7-5-17)23(33)32-14-21(15-32)30-8-10-31(11-9-30)24(34)22-13-29-16-35-22/h1-7,12-13,16,21H,8-11,14-15H2
InChIKeyRKOYTDJTNJSVIT-UHFFFAOYSA-N
MW484.48 g/mol
LogP3.64
Rot. Bonds4

About [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone

[3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 66840447) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID66840447
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name[3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CC(N2CCN(C(=O)c3cnco3)CC2)C1
InChIInChI=1S/C25H23F3N4O3/c26-25(27,28)20-3-1-2-19(12-20)17-4-6-18(7-5-17)23(33)32-14-21(15-32)30-8-10-31(11-9-30)24(34)22-13-29-16-35-22/h1-7,12-13,16,21H,8-11,14-15H2
InChIKeyRKOYTDJTNJSVIT-UHFFFAOYSA-N
XLogP3.64
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone (CID 66840447) is [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1ccc(-c2cccc(C(F)(F)F)c2)cc1)N1CC(N2CCN(C(=O)c3cnco3)CC2)C1.
What is the InChIKey of [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is RKOYTDJTNJSVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c26-25(27,28)20-3-1-2-19(12-20)17-4-6-18(7-5-17)23(33)32-14-21(15-32)30-8-10-31(11-9-30)24(34)22-13-29-16-35-22/h1-7,12-13,16,21H,8-11,14-15H2.
What are the key properties of [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone?
[3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone has a molecular weight of 484.48 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1,3-oxazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 66840447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).