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

C20H18F3N5O3 — CID 155948628

IUPAC[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)n1
InChIInChI=1S/C20H18F3N5O3/c1-30-17-6-7-24-19(25-17)28-10-8-27(9-11-28)18(29)15-12-16(31-26-15)13-4-2-3-5-14(13)20(21,22)23/h2-7,12H,8-11H2,1H3
InChIKeyWGCMXUOOZPBQKP-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.12
Rot. Bonds4

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

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone (PubChem CID 155948628) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone
PubChem CID155948628
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1ccnc(N2CCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)n1
InChIInChI=1S/C20H18F3N5O3/c1-30-17-6-7-24-19(25-17)28-10-8-27(9-11-28)18(29)15-12-16(31-26-15)13-4-2-3-5-14(13)20(21,22)23/h2-7,12H,8-11H2,1H3
InChIKeyWGCMXUOOZPBQKP-UHFFFAOYSA-N
XLogP3.12
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone (CID 155948628) is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone is COc1ccnc(N2CCN(C(=O)c3cc(-c4ccccc4C(F)(F)F)on3)CC2)n1.
What is the InChIKey of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is WGCMXUOOZPBQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c1-30-17-6-7-24-19(25-17)28-10-8-27(9-11-28)18(29)15-12-16(31-26-15)13-4-2-3-5-14(13)20(21,22)23/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone?
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 433.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[5-[2-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 155948628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).