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

C21H19F3N4O2 — CID 4878405

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H19F3N4O2/c1-14-18(26-19(30-14)15-5-3-2-4-6-15)20(29)28-11-9-27(10-12-28)17-8-7-16(13-25-17)21(22,23)24/h2-8,13H,9-12H2,1H3
InChIKeyUBSIHJCDUCEXRZ-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.03
Rot. Bonds3

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

(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 4878405) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID4878405
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H19F3N4O2/c1-14-18(26-19(30-14)15-5-3-2-4-6-15)20(29)28-11-9-27(10-12-28)17-8-7-16(13-25-17)21(22,23)24/h2-8,13H,9-12H2,1H3
InChIKeyUBSIHJCDUCEXRZ-UHFFFAOYSA-N
XLogP4.03
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27259340
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174861
(2-hydroxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 33148672
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 16595998
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
[2-(2-methoxyethoxy)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55997456
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 27659602
ethyl 4-[5-[[2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carbonyl]amino]-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 59185671
3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258640
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95590099

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 4878405) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1oc(-c2ccccc2)nc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is UBSIHJCDUCEXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c1-14-18(26-19(30-14)15-5-3-2-4-6-15)20(29)28-11-9-27(10-12-28)17-8-7-16(13-25-17)21(22,23)24/h2-8,13H,9-12H2,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 416.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 4878405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).