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

C23H23F3N4O3 — CID 43006698

IUPAC[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C23H23F3N4O3/c1-15-19(16(2)33-28-15)14-32-20-6-4-3-5-18(20)22(31)30-11-9-29(10-12-30)21-8-7-17(13-27-21)23(24,25)26/h3-8,13H,9-12,14H2,1-2H3
InChIKeyOMQWRRAYOMTDKA-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.25
Rot. Bonds5

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

[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 43006698) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID43006698
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C23H23F3N4O3/c1-15-19(16(2)33-28-15)14-32-20-6-4-3-5-18(20)22(31)30-11-9-29(10-12-30)21-8-7-17(13-27-21)23(24,25)26/h3-8,13H,9-12,14H2,1-2H3
InChIKeyOMQWRRAYOMTDKA-UHFFFAOYSA-N
XLogP4.25
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 43006698) is [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is Cc1noc(C)c1COc1ccccc1C(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is OMQWRRAYOMTDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-15-19(16(2)33-28-15)14-32-20-6-4-3-5-18(20)22(31)30-11-9-29(10-12-30)21-8-7-17(13-27-21)23(24,25)26/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 460.46 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 43006698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).