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

C21H25F3N4O2 — CID 24817537

IUPAC(4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C21H25F3N4O2/c1-15-19(30-14-25-15)20(29)28-7-3-6-18(13-28)27-10-8-26(9-11-27)17-5-2-4-16(12-17)21(22,23)24/h2,4-5,12,14,18H,3,6-11,13H2,1H3
InChIKeyIXCLMQHBOOXVKP-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.43
Rot. Bonds3

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

(4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24817537) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24817537
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1
InChIInChI=1S/C21H25F3N4O2/c1-15-19(30-14-25-15)20(29)28-7-3-6-18(13-28)27-10-8-26(9-11-27)17-5-2-4-16(12-17)21(22,23)24/h2,4-5,12,14,18H,3,6-11,13H2,1H3
InChIKeyIXCLMQHBOOXVKP-UHFFFAOYSA-N
XLogP3.43
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone (CID 24817537) is (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone is Cc1ncoc1C(=O)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is IXCLMQHBOOXVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-15-19(30-14-25-15)20(29)28-7-3-6-18(13-28)27-10-8-26(9-11-27)17-5-2-4-16(12-17)21(22,23)24/h2,4-5,12,14,18H,3,6-11,13H2,1H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 422.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24817537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).