(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone

C18H18F3N5O2 — CID 110219692

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(n2nnc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/C18H18F3N5O2/c1-10-16(11(2)28-23-10)17(27)25-7-3-4-13(9-25)26-15-6-5-12(18(19,20)21)8-14(15)22-24-26/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyDJHBDANOKKDZCV-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.53
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone (PubChem CID 110219692) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone
PubChem CID110219692
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(n2nnc3cc(C(F)(F)F)ccc32)C1
InChIInChI=1S/C18H18F3N5O2/c1-10-16(11(2)28-23-10)17(27)25-7-3-4-13(9-25)26-15-6-5-12(18(19,20)21)8-14(15)22-24-26/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyDJHBDANOKKDZCV-UHFFFAOYSA-N
XLogP3.53
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95554391
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56874697
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926893
thiophen-2-yl-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone
CID 1469592
[3-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 110219679
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
N-[(1S,2S)-2-methylcyclohexyl]-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 1469663
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 42199059
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372490
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]acetamide
CID 5003797

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone (CID 110219692) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC(n2nnc3cc(C(F)(F)F)ccc32)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is DJHBDANOKKDZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-10-16(11(2)28-23-10)17(27)25-7-3-4-13(9-25)26-15-6-5-12(18(19,20)21)8-14(15)22-24-26/h5-6,8,13H,3-4,7,9H2,1-2H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 393.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110219692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).