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

C15H15F3N4O3 — CID 136558415

IUPAC[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C15H15F3N4O3/c1-24-10-2-3-12(19-8-10)21-4-6-22(7-5-21)13(23)11-9-25-14(20-11)15(16,17)18/h2-3,8-9H,4-7H2,1H3
InChIKeyLGMLEVHOVWZGKR-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.06
Rot. Bonds3

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

[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 136558415) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
PubChem CID136558415
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C15H15F3N4O3/c1-24-10-2-3-12(19-8-10)21-4-6-22(7-5-21)13(23)11-9-25-14(20-11)15(16,17)18/h2-3,8-9H,4-7H2,1H3
InChIKeyLGMLEVHOVWZGKR-UHFFFAOYSA-N
XLogP2.06
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136551075
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136547051
1-(4-methoxyphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 2810008
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
N-cyclopropyl-4-methoxy-2,6-dimethyl-N-[[4-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]methyl]benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 46175985
4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 170855567
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
(3,4,5-triethoxyphenyl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 121073182
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
N-[(4-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522768

Frequently Asked Questions

What is the IUPAC name of [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 136558415) is [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is COc1ccc(N2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)nc1.
What is the InChIKey of [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is LGMLEVHOVWZGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c1-24-10-2-3-12(19-8-10)21-4-6-22(7-5-21)13(23)11-9-25-14(20-11)15(16,17)18/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 356.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 136558415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).