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

C25H21F3N4O3 — CID 46096484

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C25H21F3N4O3/c1-15-20(21(30-34-15)16-5-3-2-4-6-16)24(33)32-13-11-18(12-14-32)23-29-22(31-35-23)17-7-9-19(10-8-17)25(26,27)28/h2-10,18H,11-14H2,1H3
InChIKeyUPTAVFJTBDDYHJ-UHFFFAOYSA-N
MW482.46 g/mol
LogP5.74
Rot. Bonds4

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

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 46096484) has the molecular formula C25H21F3N4O3 and a molecular weight of 482.46 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID46096484
Molecular FormulaC25H21F3N4O3
Molecular Weight482.46 g/mol
Exact Mass482.16
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
InChIInChI=1S/C25H21F3N4O3/c1-15-20(21(30-34-15)16-5-3-2-4-6-16)24(33)32-13-11-18(12-14-32)23-29-22(31-35-23)17-7-9-19(10-8-17)25(26,27)28/h2-10,18H,11-14H2,1H3
InChIKeyUPTAVFJTBDDYHJ-UHFFFAOYSA-N
XLogP5.74
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 46096484) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is UPTAVFJTBDDYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O3/c1-15-20(21(30-34-15)16-5-3-2-4-6-16)24(33)32-13-11-18(12-14-32)23-29-22(31-35-23)17-7-9-19(10-8-17)25(26,27)28/h2-10,18H,11-14H2,1H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 482.46 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46096484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).